1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane

• ChemBase编号: 166961
• 分子式: C8H12Br4
• 平均质量: 427.79688
• 单一同位素质量: 423.76724838
• SMILES: C1C(C(CC(C1)C(CBr)Br)Br)Br
• Canonical SMILES: BrCC(C1CCC(C(C1)Br)Br)Br
• InChI: InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2
• InChIKey: PQRRSJBLKOPVJV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane
• IUPAC传统名: 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane
• 别名: 1-(1,2-Dibromoethyl)-3,4-dibromocyclohexane; Tetrabromoethylcyclohexane; 4-(1,2-Dibromoethyl)-1,2-dibromocyclohexane; Citex BCL 462; Saytex BCL 462; TBECH; 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane

登记号

• CAS号: 3322-93-8
• PubChem SID: 162261094
• PubChem CID: 18728

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.664098
• LogD (pH = 7.4): 4.664098
• Log P: 4.664098
• 摩尔折射率: 67.1378 cm^3
• 极化性: 26.552526 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - D425330

Tetrabromoethylcyclohexane (TBECH) is an additive brominated flame retardant used in domestic and industrial applications. It was used to investigate the biodegradation kinetics in aerobic and anaerobic soil.

参考文献

• Ahn, M., et al.: Environ. Sci. Tech., 40, 215 (2006)
• Nyholm, J., et al.: Environ. Toxicol. Chem., 28, 1035 (2006)