2-chloro-6-methylaniline

• ChemBase编号: 68982
• 分子式: C7H8ClN
• 平均质量: 141.59812
• 单一同位素质量: 141.03452694
• SMILES: Nc1c(cccc1C)Cl
• Canonical SMILES: Nc1c(C)cccc1Cl
• InChI: InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
• InChIKey: WFNLHDJJZSJARK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-6-methylaniline
• IUPAC传统名: 2-chloro-6-methyl-aniline; @2-chloro-6-methyl-aniline
• 别名: 2-氨基-3-氯甲苯; 6-氯邻甲苯胺; 2-氯-6-甲基苯胺; 2-AMINO-3-CHLOROTOLUENE PRACTICAL GRADE; (2-Chloro-6-methylphenyl)amine; 2-Chloro-6-methylaniline; 2-Chloro-6-methylbenzenamine; 2-Methyl-6-chloroaniline; 3-Chloro-2-aminotoluene; 6-Chloro-2-methylaniline; NSC 60121; 2-Chloro-6-methylaniline; 2-Chloro-6-methylaniline; 2-Amino-3-chlorotoluene; 6-Chloro-o-toluidine

登记号

• CAS号: 87-63-8
• EC号: 201-759-2
• MDL号: MFCD00007679
• Beilstein号: 774624
• PubChem SID: 162034712; 24892753
• PubChem CID: 6897

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.2610877
• LogD (pH = 7.4): 2.2617772
• Log P: 2.261786
• 摩尔折射率: 40.6044 cm^3
• 极化性: 15.095821 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 10-12 °C(lit.); 10-12°C°C; 2°C
• 沸点: 215 °C(lit.); 215°C; 215°C°C
• 闪点: 105 °C; 221 °F; 98°C(208°F)
• 密度: 1.152; 1.152 g/mL at 25 °C(lit.); 1.174
• 折射率: 1.5760; 1.5775; n20/D 1.576(lit.)
• 疏水性(logP): 2.357

安全信息

• 保存注意事项: Harmful/Irritant; IRRITANT
• RTECS编号: XU5100000
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3429; UN3429
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 22-36/37/38; 36/37/38
• 安全公开号: 26-36; 26-36/37-60
• TSCA收录: false; 是
• GHS危险品标识: GHS06; GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H331-H302-H312-H315-H319-H373
• GHS警示性声明: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3429 6.1/PG 3

产品相关信息

• 纯度: 95%; 95+%; 98%
• 级别: PRACTICAL
• 线性分子式: ClC6H3(CH3)NH2

详细说明

Sigma Aldrich - C51008

包装
1 g in glass bottle

Toronto Research Chemicals - C369070

2-Chloro-6-methylaniline is a substituted aniline used in the preparation of various pharmaceutical compounds. 2-Chloro-6-methylaniline showed inhibition of the polymerization of vinyl acetate.

参考文献

• Simonyi, M. et al.: Kinet. Mech. Polyreactions, Int. Symp. Macromol. Chem., Prepr., 3, 119 (1969)