Basic information
- CAS
104983-85-9- Standard SMILES
CSc1cc(SC)c(N)c(C)c1N- InChIKey
TXDBDYPHJXUHEO-UHFFFAOYSA-N- Molecular formula
- C9H14N2S2
- Average molar mass
- 214.4 g/mol
- Monoisotopic mass
- 214.05984045
Overview
RN & structure given in first source; 3,5-dimethylthio-2,4-toluenediamine & 3,5-dimethylthio-2,6-toluenediamine
Names & identifiers
- Preferred name
- Dimethylthiotoluenediamine
- IUPAC
- 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine
- English name
- 3,5-Dimethylthio-2,6-diaminotoluene
- Molecular formula
- C9H14N2S2
- Molecular weight
- 214.35
Names & synonyms
1,3-Benzenediamine, 2(or 4)-methyl-4,6(or 2,6)-bis(methylthio)-RefChem:412821DTXSID501016306403-240-8600-731-0106264-79-3DimethylthiotoluenediamineEthacure 3003,5-dimethylthio-2,6-diaminotoluene104983-85-92-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine2-methyl-4,6-bis(methylthio)benzene-1,3-diamine
Show more names
3,5-DIMETHYLTHIO-2,6-DIAMINETOLUENE3,5-DIMETHYLTHIO-2,6-DIAMINO TOLUENE3,5-Bis(methylthio)-2,6-toluenediamine10028 3,5-DIMETHYLTHIO-2,6-DIAMINO TOLUENE4,6-bis(methylthio)-2-methyl-1,3-benzenediamine2-METHYL-4,6-BIS(METHYLTHIO)-1,3-BENZENEDIAMINE1,3-benzenediamine,2-methyl-4,6-bis(methylthio)-2-Methyl-4,6-bis(methylthio)-1,3-phenylenediamine
1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)-CCRIS 3550Dimethylthiotoluene diamine DMTDA2-Methyl-4,6-di(methylthio)-1,3-benzenediamineSCHEMBL48437DTXSID008694374,6(or 2,6)-Bis(methylthio)-2(or 4)-methyl-1,3-benzenediamine1,3-Benzenediamine, 4,6(or 2,6)-bis(methylthio)-2(or 4)-methyl-
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 346.5 · 346.5±42.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 3.48 · 3.48±0.10(Predicted)
- CAS DataBase Reference
- 104983 · 104983-85-9(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)- (104983-85-9)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- RIDADR
- 2810 · 2810
- TSCA
- TSCA listed
- HazardClass
Safety & regulation
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1,3-Benzenediamine, 2(or 4)-methyl-4,6(or 2,6)-bis(methylthio)-
1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 07-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17152
1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Di-(methylthio)toluenediamine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,3-Benzenediamine, 2(or 4)-methyl-4,6(or 2,6)-bis(methylthio)-: Human health tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute Tox. 4 (99.6%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesHardener
General Manufacturing Information
Plastics Material and Resin Manufacturing
1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)-: ACTIVE
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津中信凯泰化工有限公司86-22-66880623 +8618622897568 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
1 records
Compound notes
Loading…