Name
stringlengths
14
548
Synonym
stringlengths
14
790
CAS RN
stringlengths
7
12
Y
class label
2 classes
Detailed Page
stringlengths
57
580
Evidence
stringlengths
40
2.31k
OECD TG 404
stringclasses
1 value
Data Source
stringclasses
34 values
Frequency
int64
1
6
SMILES
stringlengths
2
255
SMILES URL
stringlengths
45
101
SMILES Source
stringclasses
4 values
Canonical SMILES
stringlengths
2
248
Split
stringclasses
1 value
JP_CHRIP: 1,2,4,5-Tetrachlorobenzene
JP_CHRIP: Benzene tetrachloride s-Tetrachlorobenzene
95-94-3
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0066e.html
JP_CHRIP: It was classified as "Not classified" because it is reported that no appreciable irritation was observed in a test by a repeated application of a 10% solution to the ear or abdominal skin of rabbits (BUA 86 (1991)), and it is described that this substance was concluded to be non-irritating in a skin irritation test (OECD TG 404) (BUA 86 (1991)).
Provided
JP_CHRIP
1
Clc1cc(Cl)c(Cl)cc1Cl
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.573D
J-GLOBAL
Clc1cc(Cl)c(Cl)cc1Cl
Train
EU_REACH: 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
null
95962-14-4
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30194/7/4/2/?documentUUID=7f54fd88-7be6-467a-87c0-fee4d0f64dab
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC1=CCC(CC1)C(C)CC2CCCC2=O
https://pubchem.ncbi.nlm.nih.gov/compound/175661
PubChem
CC1=CCC(C(C)CC2CCCC2=O)CC1
Train
EU_REACH: methyl 1-(3-chloropyridin-2-yl)-3-(hydroxymethyl)-1H-pyrazole-5-carboxylate
null
960316-73-8
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16970/7/4/2/?documentUUID=c6359ae9-4890-4570-8bf7-f9e4831b0ff7
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
COC(=O)C1=CC(=NN1C2=C(C=CC=N2)Cl)CO
https://pubchem.ncbi.nlm.nih.gov/compound/53235501
PubChem
COC(=O)c1cc(CO)nn1-c1ncccc1Cl
Train
JP_CHRIP: 1,2,3-Trichloropropane
JP_CHRIP: 1,2,3-Trichloropropane Allyl trichloride Glycerol trichlorohydrin Propane, 1,2,3-trichloro-
96-18-4
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/16-mhlw-0117e.html
JP_CHRIP: In a skin irritation test (in conformity to OECD TG 404), in which 0.5 mL of test substance was applied to rabbits for 4 hours, mild skin irritation was observed (SIDS (2004)). Therefore, it was classified as "Not classified" (corresponding to Category 3 in UN GHS classification).
Provided
JP_CHRIP
1
ClCC(Cl)CCl
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.962D
J-GLOBAL
ClCC(Cl)CCl
Train
AU_HCIS: 1-Butanol, 2-amino- NZ_CCID: 2-Amino-1-butanol
null
96-20-8
1Cat 1
AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=5539 NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/31824D2E-8478-4F6A-9AED-F1374214E4F6
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
AU_HCIS, NZ_CCID
2
CCC(CO)N
https://pubchem.ncbi.nlm.nih.gov/compound/22129
PubChem
CCC(N)CO
Train
EU_REACH: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-chloroprop-2-enoate
null
96383-55-0
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10080/7/4/2/?documentUUID=c618a845-7e18-4373-a433-f6800d8968a4
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C=C(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/59297287
PubChem
C=C(Cl)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Train
EU_REACH: 1,3-dioxolan-2-one
null
96-49-1
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14909/7/4/2/?documentUUID=d8a418a1-a143-4dbb-99f6-8549c99f4f82
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1COC(=O)O1
https://pubchem.ncbi.nlm.nih.gov/compound/7303
PubChem
O=C1OCCO1
Train
EU_REACH: 4-trans-ethyl-4'-trans-propyl-[1,1'-bicyclohexyl]
null
96624-41-8
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27175/7/4/2/?documentUUID=03133f81-119c-437d-965b-e5b7cff42129
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCC1CCC(CC1)C2CCC(CC2)CC
https://pubchem.ncbi.nlm.nih.gov/compound/19850402
PubChem
CCCC1CCC(C2CCC(CC)CC2)CC1
Train
EU_REACH: 4-trans-Butyl-4'-trans-propyl-[1,1'-bicyclohexyl]
null
96624-52-1
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27171/7/4/2/?documentUUID=7db757dd-d416-4694-8516-85ff88745425
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCCC1CCC(CC1)C2CCC(CC2)CCC
https://pubchem.ncbi.nlm.nih.gov/compound/11086663
PubChem
CCCCC1CCC(C2CCC(CCC)CC2)CC1
Train
EU_REACH: 3-[benzyl({4-[2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]propanenitrile
null
96662-24-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12107/7/4/2/?documentUUID=3df49d34-3273-4803-8110-a8b6d0fd9485
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=CC=C(C=C1)CN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
https://pubchem.ncbi.nlm.nih.gov/compound/15869329
PubChem
N#CCCN(Cc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
Train
EU_REACH: 4-methyl-3-nitrobenzoic acid
null
96-98-0
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5345/7/4/2/?documentUUID=2c363557-c8ce-4f99-9472-c39aa4748c9b
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
https://pubchem.ncbi.nlm.nih.gov/compound/7319
PubChem
Cc1ccc(C(=O)O)cc1[N+](=O)[O-]
Train
NZ_CCID: Benzoic acid, 2-hydroxy-5-sulpho-
null
97-05-2
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/002E9059-975E-4234-8FF5-7D6A59A6BBD8
NZ_CCID: Skin Irritation R PHRASE: R 34 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
NZ_CCID
1
C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O
https://pubchem.ncbi.nlm.nih.gov/compound/7322
PubChem
O=C(O)c1cc(S(=O)(=O)O)ccc1O
Train
JP_CHRIP: 4-Nitro-o-anisidine
JP_CHRIP: 4-Nitro-o-anisidine
97-52-9
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/17-mhlw-2017e.html
JP_CHRIP: Based on a report that in a skin irritation test with rabbits, no irritation was observed in the application of 500 mg of this substance (NTP IMM98007 (2011) (Access on May 2017)), it was classified as "Not classified." Besides, there is a description in the information source in List 3 that no irritation tests with rabbits (according to OECD TG 404) (GESTIS (Access on May 2017)).
Provided
JP_CHRIP
1
COc1cc(ccc1N)[N+](=O)[O-]
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.207D
J-GLOBAL
COc1cc([N+](=O)[O-])ccc1N
Train
EU_REACH: 1-(2,5-dioxoimidazolidin-4-yl)urea
null
97-59-6
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13641/7/4/2/?documentUUID=dfbe1428-6ee4-4e73-bbdf-57019e1e6194
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1(C(=O)NC(=O)N1)NC(=O)N
https://pubchem.ncbi.nlm.nih.gov/compound/204
PubChem
NC(=O)NC1NC(=O)NC1=O
Train
NZ_CCID: 2-Methylpentanoic acid
null
97-61-0
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/F02F6EDF-E0A6-46F0-AE49-69832589F52D
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
CCCC(C)C(=O)O
https://pubchem.ncbi.nlm.nih.gov/compound/7341
PubChem
CCCC(C)C(=O)O
Train
JP_CHRIP: Isobutyric anhydride NZ_CCID: 2-Methylpropionic anhydride
NZ_CCID: iso-butyric anhydride
97-72-3
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0158e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/166DD4DA-022D-40BA-B0F2-2B797880CE43
JP_CHRIP: The substance is rapidly hydrolyzed to isobutyric acid by contact with water (SIDS (J) (Access on Sep. 2010)). Thus, the substance was classified as Category 1 based on the document that open application of isobutyric acid to rabbit skin caused some necrosis within 24 hours (PATTY, 5th (2001)). NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
JP_CHRIP, NZ_CCID
2
CC(C)C(=O)OC(=O)C(C)C
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.161F
J-GLOBAL
CC(C)C(=O)OC(=O)C(C)C
Train
JP_CHRIP: Tetraethylthiuram disulfide (Disulfiram)
JP_CHRIP: 1,1'-Dithiobis(N,N-diethylthioformamide) bis-(N,N-Diethylthiocarbamoyl)disulfide Disulfiram TETD Tetraethylthiuramdisulfide
97-77-8
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/18-mhlw-2003e.html
JP_CHRIP: [Rationale for the Classification] Based on evidence (1)-(4) that this substance is not skin irritating, it was classified as "Not classified." [Evidence Data] (1) There is a report that a drunken-like effect was seen due to exposure with workers at a manufacturing plant, but it is also known that skin irritation is generally seen at the time of perspiration, and minimal skin irritation was observed in only 9% of the overall. In addition, exposure concentrations were not determined (ACGIH (7th, 2001)). (2) There is a report that in a skin irritation test (corresponds to OECD TG 404, n=6) with rabbits, when this substance was applied for 4 hours, PII (skin primary irritation index) was 0.13 (maximum 8) (NICNAS IMAP (Accessed Jun. 2018), REACH registration dossier (Accessed Jun. 2018)) (3) There is a report that in a skin irritation test (corresponds to OECD TG 404, GLP-compliant) with rabbits, when this substance was applied for 24 hours, the erythema score was 0.25, but recovery was complete in 3 days, and the edema score was 0 (NICNAS IMAP (Accessed Jun. 2018), REACH registration dossier (Accessed Jun. 2018)). (4) There is a report that in a skin irritation test (corresponds to OECD TG 404, GLP-compliant) with rabbits, when this substance was applied for 24 hours, the erythema score was 0.96, but recovery was complete in 7 days, and the edema score was 0 (NICNAS IMAP (Accessed Jun. 2018), REACH registration dossier (Accessed Jun. 2018)).
Provided
JP_CHRIP
1
CCN(CC)C(=S)SSC(=S)N(CC)CC
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.980B
J-GLOBAL
CCN(CC)C(=S)SSC(=S)N(CC)CC
Train
EU_REACH: methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
null
97780-06-8
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20802/7/4/2/?documentUUID=bb417d49-fab8-41e6-a350-6bd3c59c9602
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)NC
https://pubchem.ncbi.nlm.nih.gov/compound/91756
PubChem
CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1
Train
JP_CHRIP: Triethylborane NZ_CCID: Borane, triethyl-
NZ_CCID: Triethylborane, Triethylboron
97-94-9
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0199e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/DA2A3A18-B3F5-4666-AD2A-6C944F6126B4
JP_CHRIP: The substance was classified as Category 1 based on the documents that the substance caused strong irritation to human skin, eye and respiratory system (HSDB (2010)) and the substance was classified as "C; R34 (Skin Corr. 1B)" as trialkyboranes in the EU classification (EC-JRC (ESIS) (Access on Dec. 2010)). NZ_CCID: Skin Irritation R-PHRASE: R 34 Causes burns. [N-CLASS] Eye Irritation R-PHRASE: R 34 Causes burns. [N-CLASS]
null
JP_CHRIP, NZ_CCID
2
CCB(CC)CC
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.478B
J-GLOBAL
CCB(CC)CC
Train
EU_REACH: 2-chloro-1,1-dimethoxyethane
null
97-97-2
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17184/7/4/2/?documentUUID=a82e2414-69a9-4b74-8509-a41746bfe512
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
COC(CCl)OC
https://pubchem.ncbi.nlm.nih.gov/compound/60986
PubChem
COC(CCl)OC
Train
EU_REACH: 2,9-dimethyl-5,7,12,14-tetrahydro-5,12-diazapentacene-7,14-dione
null
980-26-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15097/7/4/2/?documentUUID=aabf1b39-4487-4c50-b208-f10146622530
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)C
https://pubchem.ncbi.nlm.nih.gov/compound/70423
PubChem
Cc1ccc2[nH]c3cc4c(=O)c5cc(C)ccc5[nH]c4cc3c(=O)c2c1
Train
JP_CHRIP: Benzenesulfonyl chloride NZ_CCID: Benzenesulphonyl chloride
null
98-09-9
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0094e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/15891980-7B2F-49FA-9776-0F56221A1F4B
JP_CHRIP: Based on a result of "corrosive" in a rabbit test (IUCLID (2000)), the substance was classified into Category 1. NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
JP_CHRIP, NZ_CCID
2
ClS(=O)(=O)c1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.983G
J-GLOBAL
O=S(=O)(Cl)c1ccccc1
Train
JP_CHRIP: Benzenesulfonic acid NZ_CCID: Benzenesulphonic acid
JP_CHRIP: Benzenemonosulfonic acid Phenylsulfonic acid
98-11-3
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0071e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/E6F359F2-D929-4675-A78E-45582CC9C70B
JP_CHRIP: It was classified in Category 1 because there is a description of severe skin irritation in guinea pigs (HSDB (2002)), and the saturated solution of this substance has pH 2. NZ_CCID: Skin Irritation R PHRASE: R 34 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
JP_CHRIP, NZ_CCID
2
OS(=O)(=O)c1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.182J
J-GLOBAL
O=S(=O)(O)c1ccccc1
Train
JP_CHRIP: Trichlorophenylsilane
null
98-13-5
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/11-mhlw-0011e.html
JP_CHRIP: It was classified in Category 1 base on a result as "highly corrosive" in a rabbit test (IUCLID (2000)) and a result indicating "corrosion" in another rabbit test (HSDB (2000)).
null
JP_CHRIP
1
Cl[Si](Cl)(Cl)c1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.322E
J-GLOBAL
Cl[Si](Cl)(Cl)c1ccccc1
Train
EU_REACH: 1-chloro-3-(trifluoromethyl)benzene
null
98-15-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19799/7/4/2/?documentUUID=da93ee4f-47e1-45f8-8309-595e50d30ad6
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=CC(=CC(=C1)Cl)C(F)(F)F
https://pubchem.ncbi.nlm.nih.gov/compound/7374
PubChem
FC(F)(F)c1cccc(Cl)c1
Train
AU_HCIS: 1,2-Benzenediol, 4-(1,1-dimethylethyl)- NZ_CCID: 4-t-Butylpyrocatechol
NZ_CCID: 4-tert-butylcatechol
98-29-3
1Cat 1
AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=6586 NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/779E6331-F4AE-4B13-9B1B-352BDCAA6AB2
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
AU_HCIS, NZ_CCID
2
CC(C)(C)C1=CC(=C(C=C1)O)O
https://pubchem.ncbi.nlm.nih.gov/compound/7381
PubChem
CC(C)(C)c1ccc(O)c(O)c1
Train
EU_REACH: ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
null
98349-25-8
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10623/7/4/2/?documentUUID=2291aa59-18ef-485e-a4f1-205ef78b096e
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)C3CC3
https://pubchem.ncbi.nlm.nih.gov/compound/9817544
PubChem
CCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O
Train
EU_REACH: trans-1,4-bis(isocyanatomethyl)cyclohexane
null
98458-83-4
1Cat 1
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26702/7/4/2/?documentUUID=fecb723c-8202-4de1-bb82-06bf9427fb51
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1CC(CCC1CN=C=O)CN=C=O
https://pubchem.ncbi.nlm.nih.gov/compound/61504
PubChem
O=C=NCC1CCC(CN=C=O)CC1
Train
NZ_CCID: 4-Bromobenzenesulphonyl chloride
null
98-58-8
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/2893EFAD-9CC9-4251-834A-0027964E8BE9
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1=CC(=CC=C1S(=O)(=O)Cl)Br
https://pubchem.ncbi.nlm.nih.gov/compound/7396
PubChem
O=S(=O)(Cl)c1ccc(Br)cc1
Train
NZ_CCID: 4-Toluenesulphonyl chloride
NZ_CCID: 4-Methylbenzenesulfonyl chloride, 4-Toluenesulfonyl chloride, Benzenesulfonyl chloride, 4-methyl-, Tosyl chloride, p-Methylbenzenesulfonyl chloride, p-Toluenesulfochloride, p-Toluenesulfonic acid chloride, p-Toluenesulphonyl chloride, p-Tolylsulfonyl chloride, p-Tosyl chloride, para-Toluenesulfonyl chloride
98-59-9
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/38C8068C-2B7E-4CA4-AB65-012C913832B8
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
CC1=CC=C(C=C1)S(=O)(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/7397
PubChem
Cc1ccc(S(=O)(=O)Cl)cc1
Train
NZ_CCID: 4-Chlorobenzenesulphonyl chloride
null
98-60-2
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/4168693B-5296-46E1-89C3-386A788C54E0
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1=CC(=CC=C1S(=O)(=O)Cl)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/7398
PubChem
O=S(=O)(Cl)c1ccc(Cl)cc1
Train
NZ_CCID: 4-Methoxybenzenesulphonyl chloride
null
98-68-0
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/B4755BD2-F16B-4465-92A1-033F6D04568A
NZ_CCID: Skin Irritation R PHRASE: R 34 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
NZ_CCID
1
COC1=CC=C(C=C1)S(=O)(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/7401
PubChem
COc1ccc(S(=O)(=O)Cl)cc1
Train
NZ_CCID: 4-Nitrobenzenesulphonyl chloride
null
98-74-8
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/D222C6C1-5B24-4F4F-90EF-213D01E3C7BF
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/7404
PubChem
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1
Train
JP_CHRIP: Cumene
JP_CHRIP: (1-Methylethyl)benzene 1-Methylethylbenzene 2-Phenylpropane isopropylbenzene isopropylbenzene [synonym:cumene]
98-82-8
0NC
JP_CHRIP: https://www.nite.go.jp/chem/ghs/21-mhlw-2011.html
JP_CHRIP: 【分類根拠】 (1)より、区分に該当しない。 【根拠データ】 (1)ウサギ(n= 6)を用いた皮膚刺激性試験(OECD TG404相当、無傷/有傷皮膚、72時間観察)では、24及び72時間後の観察で浮腫はみられなかったが、軽度で回復性のある紅斑が全例にみられた。6例の個体別平均スコア(フルスコア:8)は各々2、1.5、2、2、2及び1.5で無傷皮膚と有傷皮膚には差はなかった(AICIS IMAP (2016)、EU RAR (2001)、ACGIH (7th, 2001)、厚労省 リスク評価書 (2015)、産衛学会 許容濃度暫定値の提案理由書 (2019)、REACH登録情報 (Accessed Dec. 2021))。 【参考データ等】 (2)本物質は皮膚刺激性物質である(AICIS IMAP (2016)、NTP(2009))。 (3)厚労省 リスク評価書 (2015)では、皮膚刺激性/腐食性:軽度の刺激性とされた。 (4)ウサギを用いた皮膚刺激性試験(原液0.5 mL、24時間適用)では、皮膚剥離を伴う軽微な脱脂作用がみられ、軽微な皮膚刺激性と判定された(ACGIH (7th, 2001)、厚労省 リスク評価書 (2015)、産衛学会 許容濃度暫定値の提案理由書 (2019))。
Provided
JP_CHRIP
1
CC(C)c1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.581E
J-GLOBAL
CC(C)c1ccccc1
Train
AU_HCIS: benzoyl chloride JP_CHRIP: Benzoyl chloride KR_NCIS: Benzoyl chloride NZ_CCID: Benzoyl chloride US_HSDB: Benzoyl chloride
JP_CHRIP: alpha-Chlorinated toluenes (benzal chloride, benzotrichloride, benzyl chloride) and benzoyl chloride (combined exposures) alpha-Chlorobenzaldehyde Benzenecarbonyl chloride Benzoic acid chloride KR_NCIS: Benzenecarbonyl chloride; Benzoic acid chloride NZ_CCID: Benzenecarbonyl chloride, Benzoic acid, chloride
98-88-4
1Cat 1
AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=457 JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/18-mhlw-2015e.html KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/BDEC200B-FA30-411E-A0FD-F2252AD43C67 US_HSDB: https://pubchem.ncbi.nlm.nih.gov/source/hsdb/383
JP_CHRIP: [Rationale for the Classification] Based on (1)-(3), it was judged that this substance is corrosive to the skin, and it was classified in Category 1. [Evidence Data] (1) It is described that this substance is corrosive to humans in multiple articles in literature (NICNAS IMAP (Accessed Aug. 2018), Vincoli (1996), Bruze et al. (2000)). (2) In a skin irritation test (n=6) with rabbits, after a 4-hour application followed by 72-hour observation, an irritation score of 3.8 is reported (REACH registration dossier (Accessed Aug. 2018)). (3) There is also a report that this substance is very strongly irritating to rabbit skins (Risk Assessment Report (Ministry of Health, Labour and Welfare, 2008), ACGIH (7th, 2001)). [Reference Data, etc.] (4) This substance was classified as "Skin Corr. 1B" in the EU CLP. NZ_CCID: Skin Irritation R-PHRASE: R 34 UN CLASS: 8 PG II [ICSC 2000] Eye Irritation EU Classification Symbol: C R: 34 S: (1/2-)26-45 EFFECTS OF SHORT-TERM EXPOSURE: Tear drawing. The substance is corrosive to the eyes, the skin and the respiratory tract. Corrosive on ingestion. Inhalation of the vapour or aerosol may cause lung oedema (see Notes). [ICSC 2000]
null
AU_HCIS, JP_CHRIP, KR_NCIS, NZ_CCID, US_HSDB
5
ClC(=O)c1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.987J
J-GLOBAL
O=C(Cl)c1ccccc1
Train
JP_CHRIP: N,N-Dimethylcyclohexylamine NZ_CCID: Cyclohexyldimethylamine
JP_CHRIP: N,N-Dimethyl-cyclohexylamine Cyclohexanamine, N,N-dimethyl- Cyclohexylamine, N,N-dimethyl- Cyclohexyldimethylamine N,N-Dimethylaminocyclohexane N-Cyclohexyldimethylamine NZ_CCID: (Dimethylamino)Cyclohexane, N, N-Dimethylcyclohexanamine, N,N-Dimethylcyclohexylamine
98-94-2
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/17-mhlw-2015e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/D1F03E47-69FF-4B3D-BF20-ABA7BDE1E357
JP_CHRIP: Based on a report that it was corrosive in a skin irritation test with rabbits, and a description that the 5 g/L aqueous solution of this substance was pH 12 (GESTIS (Access on May 2017)), and that the corrosive properties were attributable to the alkaline properties of the aqueous solution of this substance (SIAP (2012)), it was classified in Category 1. NZ_CCID: Skin Irritation N,N-Dimethyl-cyclohexylamine has a specific UN number 2264 Class 8 Sub risk 3 packing group II, with risk phrases R10,R20/21/22,R34. Class 8 packing group II is equivalent to an HSNO 8.2B classification. Eye Irritation N,N-Dimethyl-cyclohexylamine has a specific UN number 2264 Class 8 Sub risk 3 packing group II, with risk phrases R10,R20/21/22,R34.
null
JP_CHRIP, NZ_CCID
2
CN(C)C1CCCCC1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.960C
J-GLOBAL
CN(C)C1CCCCC1
Train
EU_REACH: (2R)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2R)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2S)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran
null
99199-90-3
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7989/7/4/2/?documentUUID=c0d62c61-66f0-4edb-9563-92c0f06152b6
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1CC2=C(C=CC(=C2)F)OC1C3CO3
https://pubchem.ncbi.nlm.nih.gov/compound/11658439
PubChem
Fc1ccc2c(c1)CCC(C1CO1)O2
Train
EU_REACH: trehalose
null
99-20-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26864/7/4/2/?documentUUID=77f7f2d0-73f4-429d-b101-7c237782ac02
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
https://pubchem.ncbi.nlm.nih.gov/compound/7427
PubChem
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Train
EU_REACH: 4,4'-Methylenebis(N-butoxycarbonylcyclohexanamine)
null
99305-42-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20249/7/4/2/?documentUUID=e113222c-646e-45bf-b87e-8df97c8f14f8
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCCOC(=O)NC1CCC(CC1)CC2CCC(CC2)NC(=O)OCCCC
https://pubchem.ncbi.nlm.nih.gov/compound/11742316
PubChem
CCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCCC)CC2)CC1
Train
EU_REACH: trimethylsilane
null
993-07-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19701/7/4/2/?documentUUID=b97fb748-c412-4f1e-8725-5e76728b4248
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C[SiH](C)C
https://pubchem.ncbi.nlm.nih.gov/compound/70435
PubChem
C[SiH](C)C
Train
NZ_CCID: 3,5-Dinitrobenzoyl chloride
null
99-33-2
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/42A7A118-D942-47EB-9B2E-063759012F7E
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/7432
PubChem
O=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Train
JP_CHRIP: tert-Amyl methyl ether [TAME or 2-methoxy-2-methylbentane]
JP_CHRIP: 1,1-Dimethyl propylmethyl ether 2-Methyl-2-methoxybutane Butane, 2-methoxy-2-methyl- Methyl-tert-pentyl ether TAME tert-Pentyl methyl ether
994-05-8
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-mhlw-0020e.html
JP_CHRIP: In a skin irritation test using rabbits (OECD TG 404, GLP compliance), 4-hour application with 500 micro L this substance (98.4%) resulted in the irritation score of 0, and it was judged to be not irritating (EU-RAR (2006)). From the above result, it was judged to be "Not classified."
Provided
JP_CHRIP
1
CCC(C)(C)OC
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J125.007H
J-GLOBAL
CCC(C)(C)OC
Train
EU_REACH: chlorotriethylsilane NZ_CCID: Chlorotriethylsilane
null
994-30-9
1Cat 1
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19870/7/4/2/?documentUUID=0376eda7-1481-43e3-a105-965f183d3948 NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/12EB044C-011B-450A-B037-2351BF6AA3D1
EU_REACH: Experimental study (OECD TG 404, GLP) NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
Provided
EU_REACH, NZ_CCID
2
CC[Si](CC)(CC)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/13819
PubChem
CC[Si](Cl)(CC)CC
Train
JP_CHRIP: 1,2-Dichloro-4-nitrobenzene
JP_CHRIP: 1,2-Dichloro-4-nitrobenzene 3,4-Dichloronitrobenzene Benzene, 1,2-dichloro-4-nitro- DCNB
99-54-7
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-meti-0017e.html
JP_CHRIP: Since the 24 hour skin irritation/corrosion test with rabbits (OECD TG 404, GLP) did not identify skin irritation (average scored values for erythema/crust and edema:0.2, 0.0) (SIDS (2003)), it was classified into "Not classified".
Provided
JP_CHRIP
1
[O-][N+](=O)c1ccc(Cl)c(Cl)c1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.584J
J-GLOBAL
O=[N+]([O-])c1ccc(Cl)c(Cl)c1
Train
EU_REACH: 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
null
99591-74-9
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7762/7/4/2/?documentUUID=e8145276-df84-424d-8ad0-bc3ae18b5e65
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1OS(=O)(=O)CS(=O)(=O)O1
https://pubchem.ncbi.nlm.nih.gov/compound/11600810
PubChem
O=S1(=O)CS(=O)(=O)OCO1
Train
EU_REACH: 3,4,5-trifluorophenol
null
99627-05-1
1Cat 1
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/4466/7/4/2/?documentUUID=738c89d3-4675-48a2-aa3a-8b1832b39883
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=C(C=C(C(=C1F)F)F)O
https://pubchem.ncbi.nlm.nih.gov/compound/2777943
PubChem
Oc1cc(F)c(F)c(F)c1
Train
EU_REACH: dimethyl(propan-2-yl)amine
null
996-35-0
1Cat 1
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13880/7/4/2/?documentUUID=7425a16d-9690-43c5-990d-bb20be72b921
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(C)N(C)C
https://pubchem.ncbi.nlm.nih.gov/compound/70452
PubChem
CC(C)N(C)C
Train
JP_CHRIP: m-Dinitrobenzene
JP_CHRIP: 1,3-Dinitrobenzene 1,3-Dinitrobenzol 1,3-DNB Benzene, 1,3-dinitro- dinitrobenzene m-Dinitrobenzene
99-65-0
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2049e.html
JP_CHRIP: [Rationale for the Classification] Based on (1) and (2), it was classified as "Not classified." [Evidence Data] (1) In a skin irritation test with rabbits according to OECD TG 404, it revealed no irritation (GESTIS (Access on July 2019)). (2) Although details were unknown, there is a report that no irritation was observed in a skin irritation test with rabbits (ATSDR (1995)). [Reference Data, etc.] (3) In a skin irritation test with guinea pigs applied with a formulation containing 0.5% of this substance, no irritation was observed (ATSDR (1995)).
Provided
JP_CHRIP
1
[O-][N+](=O)c1cccc(c1)[N+](=O)[O-]
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.177K
J-GLOBAL
O=[N+]([O-])c1cccc([N+](=O)[O-])c1
Train
NZ_CCID: Diethylaminotrimethylsilane
NZ_CCID: N,N-diethyltrimethylsilylamine
996-50-9
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/FF37B5D2-C349-4EE7-B15B-2363FF81881A
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
CCN(CC)[Si](C)(C)C
https://pubchem.ncbi.nlm.nih.gov/compound/70454
PubChem
CCN(CC)[Si](C)(C)C
Train
EU_REACH: 1,2,3-trichloro-12,24-dihydro-5H-naphtho[2,3-h]naphtho[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone
null
99688-45-6
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24668/7/4/2/?documentUUID=e9988da8-b9fa-423f-a563-dcb52766b31c
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=CC6=C(C=C5N4)C(=O)C7=C8C6=C(C(=C9C8=C(C=C7)C1=C(N9Cl)C2=C(C=C1)C(=O)C1=CC=CC=C1C2=O)Cl)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/44147486
PubChem
O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2cc3c(=O)c4ccc5c6ccc7c(c6n(Cl)c6c(Cl)c(Cl)c(c3cc21)c4c56)C(=O)c1ccccc1C7=O
Train
JP_CHRIP: p-sec-Butylphenol
JP_CHRIP: 4-(1-methylpropyl)phenol p-sec-butylphenol
99-71-8
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0072e.html
JP_CHRIP: In a test by a 4-hour semi-occlusive application of 0.5 mL of the undiluted solution of this substance liquefied by heating to the rabbit skin (GLP-compliant), all six animals showed necrosis, PII (primary irritation index) was 7.25, and it was concluded to be corrosive (HPVIS (2009)). Therefore, it was classified in Category 1.
null
JP_CHRIP
1
CCC(C)c1ccc(O)cc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J362J
J-GLOBAL
CCC(C)c1ccc(O)cc1
Train
NZ_CCID: 2,4'-Dibromoacetophenone
null
99-73-0
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/EF35CDD3-C8B4-41E2-9F8F-F6B499D9D2D1
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1=CC(=CC=C1C(=O)CBr)Br
https://pubchem.ncbi.nlm.nih.gov/compound/7454
PubChem
O=C(CBr)c1ccc(Br)cc1
Train
JP_CHRIP: 4-Isopropylaniline
JP_CHRIP: 4-isopropylaniline
99-88-7
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/11-mhlw-0013e.html
JP_CHRIP: On the basis of a result as "corrosive" in a test using rabbits (OECD TG 404: GLP) (IUCLID (2000), it was classified in Category 1.
Provided
JP_CHRIP
1
CC(C)c1ccc(N)cc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.624F
J-GLOBAL
CC(C)c1ccc(N)cc1
Train
JP_CHRIP: 2-Hydroxypropyl acrylate US_HSDB: 2-Hydroxypropyl acrylate
JP_CHRIP: 2-Propenoic acid, 2-hydroxypropyl ester Acrylic acid, 2-hydroxypropyl ester beta-Hydroxypropyl acrylate Propylene glycol monoacrylate
999-61-1
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-mhlw-0067e.html US_HSDB: https://pubchem.ncbi.nlm.nih.gov/source/hsdb/7913
JP_CHRIP: It is reported that in a skin irritation test using rabbits, moderate edema and moderate to severe necrosis were observed after this substance (170 to 250 mg/kg) was locally applied, and moderate chemical burns were found after application of a 10% aqueous solution (ACGIH (7th, 2001)). Moreover, it is reported that moderate irritation was found after open application of an isomer mixture containing 75% this substance (25% 1-hydroxy-2-propyl acrylate) to rabbit skin (DFGOT vol. 16 (2001)). Furthermore, it is reported that severe deep-seated necrosis was observed after 15-minute or 4-hour occlusive application of an isomer mixture containing 66% this substance (33% 1-hydroxy-2-propyl acrylate, 1% free acrylic acid or 1-hydroxy-3-propyl acrylate) (animal species: unknown) (DFGOT vol. 16 (2001)). From the above reports, the substance was classified in Category 1. Besides, it is classified in "Skin. Corr. 1B H314" in EU CLP classification (ECHA CL Inventory (Access on September 2015)).
null
JP_CHRIP, US_HSDB
2
CC(O)COC(=O)C=C
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.773K
J-GLOBAL
C=CC(=O)OCC(C)O
Train
EU_REACH: 4-hydroxybenzoic acid
null
99-96-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15944/7/4/2/?documentUUID=500bdcb0-2581-4d12-8cfb-3faea4b487c7
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=CC(=CC=C1C(=O)O)O
https://pubchem.ncbi.nlm.nih.gov/compound/135
PubChem
O=C(O)c1ccc(O)cc1
Train