2,5-二甲基-1,4-苯二胺

2,5-Dimethyl-p-phenylenediamine

HCID 160824CAS 6393-01-7

基本信息

标准SMILES: Cc1cc(N)c(C)cc1N
InChIKey: BWAPJIHJXDYDPW-UHFFFAOYSA-N
分子式: C8H12N2
平均分子量: 136.19 g/mol
单同位素质量: 136.10004838

概述

2,5-dimethyl-p-phenylenediamine is a primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine. It has a role as an allergen. It derives from a hydride of a p-xylene.

名称与标识

首选名称: 2,5-Dimethyl-p-phenylenediamine
IUPAC: 2,5-dimethylbenzene-1,4-diamine
中文名: 2,5-二甲基-1,4-苯二胺
英文名: 2,5-Dimethyl-1,4-benzenediamine
分子式: C8H12N2
分子量: 136.19

名称与别名

6393-01-72,5-Dimethylbenzene-1,4-diamine2,5-Dimethyl-1,4-benzenediamine2,5-DIMETHYL-P-PHENYLENEDIAMINE4-Amino-2,5-dimethylanilineCCRIS 81182,5-dimethylphenylene-1,4-diamineRE400VN2B4CHEBI:536131,4-dimethylphenylene-2,5-diamineEINECS 229-003-7DTXSID10213725

展开更多名称

2,5-二氨基对二甲苯2,5-二甲基对苯二胺4-氨基-2,5-二甲基苯胺2,5-二甲基苯-1,4-二胺2.2-二甲基-1.4-苯二胺2,5-二甲基-1,4-苯二胺2,5-二甲基-1,4-苯二胺*52,5-二甲基对苯二胺、4-氨基-2,5-二甲基苯胺2,5-二甲基-1,4-苯二胺(2,5-二甲基对苯二胺、4-氨基-2,5-二甲基苯胺)2,5-DIMETHYL-1,4-PHENYLENEDIAMINE 2,5-二甲基-1,4-苯二胺0/7/93AURORA KA-65691,4-DIAMINO-2,5-XYLENE2,5-Dimethylbenzol-1,4-diamin

2,5-dimethyl-para-phenylenediamineAMINO-2,5-DIMETHYLANILINE, 4-RefChem:444561DTXCID401362162,5-Dimethyl-1,4-phenylenediamineMFCD000526752,5-dimethyl-1,4-benzoquinonediamine2,5-Diamino-p-xylene

数据库标识

CAS: 6393-01-7
PubChem CID: 160824
DTXSID: DTXSID10213725
ChEMBL: CHEMBL1795410
ChEBI: CHEBI:53613
UNII: RE400VN2B4
EC Number: 229-003-7
Nikkaji: J81.211K

性质

结构计算性质

XLogP: 1.3
极性表面积: 52 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 99.8

物理化学性质

熔点: 149 · 149-150 °C (lit.)
沸点: 281.1 · 281.1±35.0 °C(Predicted)
密度: 1.076 · 1.076±0.06 g/cm3(Predicted)
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: Chloroform (Sparingly), DMSO (Slightly)
形态: Solid
酸度系数(pKa): 6.14 · 6.14±0.10(Predicted)
颜色: Brown to Dark Beige
InChI: InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3
InChIKey: BWAPJIHJXDYDPW-UHFFFAOYSA-N
SMILES: C1(N)=CC(C)=C(N)C=C1C
CAS 数据库: 6393 · 6393-01-7(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory InformationStatus: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22978

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全数据

wgk: 3
包装类别: II
危险等级: 6.1(a)
存储类别: 11 - Combustible Solids
安全说明: 26-37/39-36/37/39
海关编码: 29215900
危险品标志: Xn
危险性类别: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 20/21/22-36/37/38
危险品运输编号: 2811