基本情報
- CAS
104983-85-9- 標準SMILES
CSc1cc(SC)c(N)c(C)c1N- InChIKey
TXDBDYPHJXUHEO-UHFFFAOYSA-N- 分子式
- C9H14N2S2
- 平均分子量
- 214.4 g/mol
- 単同位体質量
- 214.05984045
概要
RN & structure given in first source; 3,5-dimethylthio-2,4-toluenediamine & 3,5-dimethylthio-2,6-toluenediamine
名称と識別子
- 優先名称
- Dimethylthiotoluenediamine
- IUPAC
- 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine
- 現地名
- 2-メチル-4,6-ビス(メチルチオ)ベンゼン-1,3-ジアミン
- 英語名
- 3,5-Dimethylthio-2,6-diaminotoluene
- 分子式
- C9H14N2S2
- 分子量
- 214.35
名称と別名
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
名称をさらに表示
2-メチル-4,6-ビス(メチルチオ)-1,3-フェニレンジアミン2-メチル-4,6-ビス(メチルチオ)ベンゼン-1,3-ジアミン2-メチル-4,6-ビス(メチルチオ)-1,3-ベンゼンジアミン3,5-ビス(メチルチオ)-2,6-トルエンジアミン2-メチル-4,6-ビス(メチルスルファニル)ベンゼン-1,3-ジアミン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
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 103 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 150
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 346.5 · 346.5±42.0 °C(Predicted)
- 比重(密度)
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 3.48 · 3.48±0.10(Predicted)
- CAS データベース
- 104983 · 104983-85-9(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)- (104983-85-9)
安全と法規制
GHS分類
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)
危険有害性情報
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 *
安全データ
化学と産業
用途と製造
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
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