N,2-dimethylaniline

• ChemBase编号: 34830
• 分子式: C8H11N
• 平均质量: 121.17964
• 单一同位素质量: 121.08914936
• SMILES: c1(c(C)cccc1)NC
• Canonical SMILES: CNc1ccccc1C
• InChI: InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
• InChIKey: GUAWMXYQZKVRCW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2-dimethylaniline
• IUPAC传统名: N-methyl-O-toluidine
• 别名: N-甲基-邻甲苯胺; N,2-Dimethylaniline; 2,N-Dimethylaniline; 2-Methyl-N-methylaniline; N,2-Dimethylbenzenamine; N,2-Dimethylaniline; N,o-Dimethylaniline; N-(2-Methylphenyl)methylamine; N-Methyl-2-methylaniline; N-Methyl-2-methylbenzenamine; N-Methyl-N-(o-tolyl)amine; N-Methyl-o-methylaniline; o,N-Dimethylaniline; Methyl(o-tolyl)amine; NSC 9395; N-Methyl-o-toluidine

登记号

• CAS号: 611-21-2
• EC号: 210-260-9
• MDL号: MFCD00025627
• PubChem SID: 160998137; 24870394
• PubChem CID: 69137

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.9052699
• LogD (pH = 7.4): 1.9587193
• Log P: 1.9594454
• 摩尔折射率: 41.293 cm^3
• 极化性: 15.109564 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 177-204 °C/740 mmHg(lit.)
• 闪点: 174.2 °F; 79 °C
• 密度: 0.981 g/mL at 25 °C(lit.)

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2810
• 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
• 危险公开号: 23/24/25-33-52/53
• 安全公开号: 28-36/37-45-61
• TSCA收录: false
• GHS危险品标识: GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H301-H311-H331-H373-H412
• GHS警示性声明: P261-P273-P280-P301 + P310-P311
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

产品相关信息

• 纯度: ≥95%
• 线性分子式: CH3C6H4NHCH3

详细说明

Sigma Aldrich - 467278

包装
25 mL in glass bottle
Application
Reactant for:
• Palladium-catalyzed coupling reactions1
• Palladium-catalyzed amination of bromoindazoles2