(2-chlorophenyl)methanamine

• ChemBase编号: 10670
• 分子式: C7H8ClN
• 平均质量: 141.59812
• 单一同位素质量: 141.03452694
• SMILES: c1ccc(c(c1)CN)Cl
• Canonical SMILES: NCc1ccccc1Cl
• InChI: InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
• InChIKey: KDDNKZCVYQDGKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-chlorophenyl)methanamine
• IUPAC传统名: (2-chlorophenyl)methanamine
• 别名: 2-氯苄胺; 邻氯苄胺; (2-Chlorophenyl)methylamine; 2-Chlorobenzylamine 97%; (2-chlorophenyl)methanamine; 1-(2-Chlorophenyl)methanamine; 2-Chlorobenzenemethanamine; NSC 60118; o-Chlorobenzylamine; o-Chlorobenzyl amine; 2-Chlorobenzylamine; 2-Chlorobenzylamine

登记号

• CAS号: 89-97-4
• EC号: 201-955-8
• MDL号: MFCD00008108
• Beilstein号: 907186
• PubChem SID: 24892521; 160973977
• PubChem CID: 66648

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.2474346
• LogD (pH = 7.4): -0.089628845
• Log P: 1.703059
• 摩尔折射率: 39.3362 cm^3
• 极化性: 15.556212 Å^3
• 极化表面积: 26.02 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: 103-104 °C/11 mmHg(lit.); 103-104°C/11mm; 227°C
• 闪点: 190.4 °F; 88 °C; 88°C; 88°C(190°F)
• 密度: 1.170; 1.173; 1.173 g/mL at 25 °C(lit.)
• 折射率: 1.5620; 1.5630; n20/D 1.562(lit.)

安全信息

• 保存注意事项: Air Sensitive; AIR SENSITIVE, CORROSIVE; Corrosive/Air Sensitive/Store under Argon
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2735; UN2735
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34; 34-37
• 安全公开号: 26-36/37/39-45
• TSCA收录: true; 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318-H227
• GHS警示性声明: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

产品相关信息

• 纯度: 95%; 97%; 98%
• 线性分子式: ClC6H4CH2NH2

详细说明

Sigma Aldrich - C27204

包装
25, 100 g in glass bottle

Toronto Research Chemicals - C364705

2-Chlorobenzylamine is a chlorinated derivative of benzylamine. 2-Chlorobenzylamine showed plasmin inhibitory activity as well as inhibition of bovine thrombin activity.

参考文献

• Landmann, H.: Haematol. Supp., 1, 169 (1970)
• Markwardt, F. et al.: Pharmazie, 24, 400 (1970)