dibromo(chloro)(13C)methane

• ChemBase编号: 136505
• 分子式: CHBr2Cl
• 平均质量: 209.27229484
• 单一同位素质量: 206.81670655
• SMILES: [13CH](Cl)(Br)Br
• Canonical SMILES: Cl[13CH](Br)Br
• InChI: InChI=1S/CHBr2Cl/c2-1(3)4/h1H/i1+1
• InChIKey: GATVIKZLVQHOMN-OUBTZVSYSA-N

名称和登记号

名称

• IUPAC标准名: dibromo(chloro)(^1^3C)methane
• IUPAC传统名: dibromo(chloro)(^1^3C)methane
• 别名: Chlorodibromomethane-13C; Dibromochloromethane-13C; Chlorodibromomethane13C; Dibromomonochloromethane13C; Monochlorodibromomethane13C; Dibromochloromethane-13C

登记号

• CAS号: 93951-99-6
• MDL号: MFCD19704780
• PubChem SID: 162230775
• PubChem CID: 11790460

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

• 熔点: -22 °C(lit.)
• 沸点: 119-120 °C/748 mmHg(lit.)
• 密度: 2.463 g/mL at 25 °C(lit.)
• 质量偏移: M+1

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302

产品相关信息

• 纯度: 97% (CP)
• 同位素纯度: 99 atom % 13C
• Mol. Weight: mol wt 209.26 by atom % calculation
• 线性分子式: Br213CHCl

详细说明

Sigma Aldrich - 735108

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - D425207

The labelled analogue of 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)