dibromo(chloro)methane

• ChemBase编号: 9646
• 分子式: CHBr2Cl
• 平均质量: 208.27964
• 单一同位素质量: 205.81335171
• SMILES: ClC(Br)Br
• Canonical SMILES: ClC(Br)Br
• InChI: InChI=1S/CHBr2Cl/c2-1(3)4/h1H
• InChIKey: GATVIKZLVQHOMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dibromo(chloro)methane
• IUPAC系统名: Dibromo(chloro)methane
• IUPAC传统名: dibromochloromethane
• 别名: 氯二溴甲烷; 一氯二溴甲烷; 二溴氯甲烷; Dibromomonochloromethane; Dibromochloromethane (stabilized with Ethanol); Chlorodibromomethane; Chlorodibromomethane; Monochlorodibromomethane; Dibromochloromethane; Dibromochloromethane

登记号

• CAS号: 124-48-1
• EC号: 204-704-0
• MDL号: MFCD00000820
• Beilstein号: 1731046
• 默克索引号: 142135
• PubChem SID: 24860862; 24872072; 24863012; 24852393; 160972953
• PubChem CID: 31296
• CHEMBL: 157093
• Chemspider ID: 29036
• KEGG ID: C14692
• 医学主题词(MeSH): chlorodibromomethane
• 维基百科标题: Dibromochloromethane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.1260462
• LogD (pH = 7.4): 2.1260462
• Log P: 2.1260462
• 摩尔折射率: 26.9843 cm^3
• 极化性: 10.782555 Å^3
• 极化表面积: 0.0 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

• 外观: Colorless liquid
• 熔点: -22 °C(lit.); -22°C; -22°C
• 沸点: 115-118°C; 119 - 120°C (at 99.7 kPa); 119-120 °C/748 mmHg(lit.); 119-120°C/48mm
• 密度: 2.420; 2.451; 2.451 g mL^-1; 2.451 g/mL at 25 °C(lit.)
• 折射率: 1.5465; 1.547; 1.5475; n20/D 1.547; n20/D 1.547(lit.)
• 分配系数: 2.206
• 亨利常数: 8.6 μmol Pa^-1 kg^-1

安全信息

• 保存注意事项: IRRITANT; Moisture & Light Sensitive
• RTECS编号: PA3600000; PA6360000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22; 22-68; r22
• 安全公开号: 23-36/37-60
• TSCA收录: true; 是
• GHS危险品标识: GHS exclamation mark; GHS07; GHS08
• GHS警示词: WARNING; Warning
• 半数致死量: 370 mg kg^-1 (oral, rat)
• GHS危险声明: 302; H302; H341-H302
• GHS警示性声明: P281-P264-P301+P312-P308+P313-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (GC); 98%
• 级别: analytical standard; analytical standard, for environmental analysis; purum
• 包装: ampule of 1000 mg
• 品质说明: amylene stabilized
• 线性分子式: Br2CHCl

详细说明

Sigma Aldrich - 206326

包装
5, 10, 50 g in glass bottle
Application
相转移条件下产生溴氯碳烯。1

Toronto Research Chemicals - D425205

A volatile halogenated methane present in trace amounts in drinking water as a result of the water treatment process. It is useful as chain transfer agents in PVC polymerization.

参考文献

• Stanaback, R.J.: Tech. Pap. Soc. Plast. Engin., 23, 262 (1977)
• Nestmann, E.R. et al.: Water Chlorin. Env. Impact Health. Eff., 4, 1151 (1977)
• Source of bromochlorocarbene in the presence of base and Dibenzo-18-crown-6, A13133. Other conditions give mixtures of carbenes: Synthesis, 783 (1977); Tetrahedron, 33, 363 (1977).