bromodichloromethane

• ChemBase编号: 126255
• 分子式: CHBrCl2
• 平均质量: 163.82864
• 单一同位素质量: 161.86386739
• SMILES: BrC(Cl)Cl
• Canonical SMILES: ClC(Br)Cl
• InChI: InChI=1S/CHBrCl2/c2-1(3)4/h1H
• InChIKey: FMWLUWPQPKEARP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bromodichloromethane
• IUPAC传统名: bromodichloromethane
• 别名: 二氯溴甲烷; 一溴二氯甲烷; 溴二氯代甲烷; Bromodichloromethane; Dichloromonobromomethane; Monobromodichloromethane; NSC 8018; Bromodichloromethane (stabilized with Ethanol); FC-20B1; dichlorobromomethane; Bromodichloromethane

登记号

• CAS号: 75-27-4
• EC号: 200-856-7
• MDL号: MFCD00000824
• Beilstein号: 1697005
• 默克索引号: 141417
• PubChem SID: 24863010; 162220594; 24848395
• PubChem CID: 6359
• CHEBI ID: 34591
• CHEMBL: 346231
• Chemspider ID: 6119
• KEGG ID: C14708
• 维基百科标题: Bromodichloromethane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.9756733
• LogD (pH = 7.4): 1.9756733
• Log P: 1.9756733
• 摩尔折射率: 24.1758 cm^3
• 极化性: 9.547835 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

• 溶解度: 4.5 g/l at 20 °C in water
• 外观: Colorless liquid
• 熔点: -55 °C(lit.); -57 °C; -57°C
• 沸点: 87 °C(lit.); 87-89°C; 90 °C
• 密度: 1.98 g/mL at 25 °C(lit.); 1.980 g/cm^3; 1.983
• 折射率: 1.4972; n20/D 1.497(lit.)

安全信息

• RTECS编号: PA5310000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-37/38-40-41; 45-22-36/37/38; R45 R46 R20/21/22 R36/37/38
• 安全公开号: 26-36/37/39; 53-45; S45 S26 S28 S27 S36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335-H350; H302-H315-H318-H335-H351
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-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

产品相关信息

• 纯度: ≥98%; 98%, stab. with potassium carbonate
• 级别: analytical standard, for environmental analysis
• 其他组分: potassium carbonate as stabilizer
• 品质说明: amylene stabilized
• 线性分子式: BrCHCl2

详细说明

Sigma Aldrich - 139181

包装
10, 50, 100 g in glass bottle

Toronto Research Chemicals - B683415

A volatile halogenated methane present in trace amounts in drinking water as a result of the water treatment process. It is also present in swimming pools due to chlorination and can be used as tracers to identify water leaks. It is useful as chain transf

参考文献

• Nestmann, E.R. et al.: Water Chlorin. Env. Impact Health. Eff., 4, 1151 (1983)
• Hargesheimer, E.E. et al.: Am. J. Water Works Assoc., 40, 631 (1983)
• Stanaback, R.J.: Tech. Pap. Soc. Plast. Engin., 23, 262 (1983)
• Source of dichlorocarbene, on treatment with base.