N-methylaniline

• ChemBase编号: 128511
• 分子式: C7H9N
• 平均质量: 107.15306
• 单一同位素质量: 107.07349929
• SMILES: CNc1ccccc1
• Canonical SMILES: CNc1ccccc1
• InChI: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
• InChIKey: AFBPFSWMIHJQDM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methylaniline
• IUPAC传统名: methylaniline
• 别名: 一甲基苯胺; N-甲基苯胺; N-Methyl aniline; N-Methylaniline; N-Monomethylaniline; Anilinomethane; N-phenylmethylamine; Monomethylaniline; N-methylaminobenzene; Methylbenzeneamine; N-Methyl-phenylamine; (methylamino) benzene; N-Methylaniline

登记号

• CAS号: 100-61-8; 100-618
• EC号: 202-870-9
• MDL号: MFCD00008283
• Beilstein号: 741982
• 默克索引号: 146019
• PubChem SID: 24854143; 162222818; 24873048; 24896781
• PubChem CID: 7515
• 维基百科标题: N-Methylaniline

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.3845329
• LogD (pH = 7.4): 1.4451928
• Log P: 1.446024
• 摩尔折射率: 36.2518 cm^3
• 极化性: 13.344026 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

• 溶解度: Insoluble in water
• 外观: Colorless liquid
• 熔点: -57 °C(lit.); -57°C; -57°C
• 沸点: 194 - 196°C; 194-197°C; 196 °C(lit.)
• 闪点: 185 °F; 85 °C; 86°C(186°F)
• 密度: 0.989; 0.989 g/mL at 25 °C(lit.); 0.99 g/mL
• 折射率: 1.5710; n20/D 1.571; n20/D 1.571(lit.)
• 粘度: cP at 25 °C

安全信息

• 保存注意事项: Air Sensitive
• RTECS编号: BY4550000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); Toxic (T)
• 联合国危险货物编号: 2294; UN2294
• 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: 23/24/25-33-50/53; R20 R21 R22 R23/24/25 R33
• 安全公开号: 1/2-28-36/37-45-60-61; 28-36/37-45-60-61; S28 S37 S45
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H311-H331-H373-H400-H410-H227; H301-H311-H331-H373-H410
• GHS警示性声明: P210-P260-P301+P310-P361-P405-P501A; P261-P273-P280-P301 + P310-P311-P501
• 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 2294 6.1/PG 3

产品相关信息

• 纯度: ≥98.0% (GC); ≥99%; ≥99.5% (GC); 98%
• 级别: analytical standard; purum
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: C6H5NHCH3

详细说明

Sigma Aldrich - M29304

包装
1 kg in glass bottle
25, 500 g in glass bottle

Sigma Aldrich - 236233

包装
10, 50 g in glass bottle

参考文献

• N-Alkylanilines react with triethanolamine in dioxan (autoclave) in the presence of Dichlorotris(triphenylphosphine)ruthenium(II), L00373, to give the corresponding 1-alkylindole in good yield: Synth. Commun., 26, 1349 (1996).