aniline hydrochloride

• ChemBase编号: 92388
• 分子式: C6H8ClN
• 平均质量: 129.58742
• 单一同位素质量: 129.03452694
• SMILES: Nc1ccccc1.Cl
• Canonical SMILES: Nc1ccccc1.Cl
• InChI: InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
• InChIKey: MMCPOSDMTGQNKG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: aniline hydrochloride
• IUPAC传统名: aniline hydrochloride
• 别名: 苯胺 盐酸盐; 苯胺盐酸盐; Aniline Chloride; Benzenamine HCl; Phenylamine HCl; Aniline hydrochloride; Aniline hydrochloride; Aniline hydrochloride; benzenamine hydrochloride; aniline sale; phenylamine hydrochloride; phenylammonium chloride; UN 1548, C.I. 76001; Anilinium chloride

登记号

• CAS号: 142-04-1
• EC号: 205-519-8
• MDL号: MFCD00012958
• Beilstein号: 3593823
• 默克索引号: 14659
• PubChem SID: 162079086; 24891344; 24846637; 24848100
• PubChem CID: 8870
• Chemspider ID: 8536
• 维基百科标题: Anilinium_chloride

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.0882844
• LogD (pH = 7.4): 1.143567
• Log P: 1.1443199
• 摩尔折射率: 30.7584 cm^3
• 极化性: 11.497764 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

• 溶解度: 1070 g/l in water
• 外观: hygroscopic white crystals
• 熔点: 196-198 °C(lit.); 196-200°C; 197-200 °C; 198°C; 199 to 202 °C
• 沸点: 245 °C; 245°C; 245°C
• 闪点: 193 °C o.c. /c.c.; 193.3°C; 193°C(379°F); 194 °C; 381.2 °F
• 密度: 1.22 g/ml; 1.221; 1.2215 g/cm^3
• 蒸汽密度: 4.46 (vs air)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate, Store Under Nitrogen, Protect from light
• 保存注意事项: Hygroscopic
• RTECS编号: CY0875000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1548; UN1548
• 德国WGK号: 2
• 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
• 澳大利亚Hazchem: 2Z
• 危险公开号: 23/24/25-40-41-43-48/23/24/25-50-68; 23/24/25-40-41-43-48/23/24/25-68-50; R:22-36; R23/24/25, R40, R41, R43,R48/23/24/25, R50, R68
• 安全公开号: 26-27-36/37/39-45-61-63; S:26-36/37/39; S26, S27, S36/37/39, S45, S61, S63
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 153
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS08; GHS09
• GHS警示词: Danger
• NFPA704:
  

  1

  3

  0
• OSHA最大允许暴露浓度: 2 ppm
• GHS危险声明: H301-H311-H317-H318-H331-H341-H351-H372-H400; H301-H311-H331-H317-H372-H341-H351-H318-H400
• GHS警示性声明: P261-P273-P280-P301 + P310-P305 + P351 + P338-P311; P280-P273-P305+P351+P338-P361-P304+P340-P309+P311
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1548 6.1/PG 3

产品相关信息

• 纯度: ≥99%; ≥99.0% (AT); 97%; 98%; 99%
• 级别: purum p.a.
• 燃烧残渣: ≤0.05%
• 痕量阴离子: sulfate (SO42-): ≤200 mg/kg
• 线性分子式: C6H5NH2 · HCl

详细说明

MP Biomedicals - 02150111

Hydrochloride

Sigma Aldrich - A8524

Biochem/physiol Actions
The acute toxicity of aniline involves its activation in vivo to 4-hydroxyaniline and the formation of adducts with hemoglobin. In erythrocytes, this is associated with the release of iron and the accumulation of methemoglobin and the development of hemolytic anemia and inflammation of the spleen. Tumor formation is often observed in the spleen on prolonged administration.
包装
5, 50 g in poly bottle

Sigma Aldrich - 133310

Biochem/physiol Actions
The acute toxicity of aniline involves its activation in vivo to 4-hydroxyaniline and the formation of adducts with hemoglobin. In erythrocytes, this is associated with the release of iron and the accumulation of methemoglobin and the development of hemolytic anemia and inflammation of the spleen. Tumor formation is often observed in the spleen on prolonged administration.
包装
5, 500 g in glass bottle

Sigma Aldrich - 10414

Biochem/physiol Actions
The acute toxicity of aniline involves its activation in vivo to 4-hydroxyaniline and the formation of adducts with hemoglobin. In erythrocytes, this is associated with the release of iron and the accumulation of methemoglobin and the development of hemolytic anemia and inflammation of the spleen. Tumor formation is often observed in the spleen on prolonged administration.

参考文献

• A convenient method has been described for generating aryl isocyanates from aniline hydrochlorides and oxalyl chloride, via thermolysis of the intermediate oxamic chloride: Tetrahedron Lett., 45, 4769 (2004).