1,2-dibromo-2,2-dichloroethyl bis(2H3)methyl phosphate

• ChemBase编号: 174919
• 分子式: C4H7Br2Cl2O4P
• 平均质量: 380.783741
• 单一同位素质量: 377.78257469
• SMILES: P(=O)(OC(C(Cl)(Br)Cl)Br)(OC)OC
• Canonical SMILES: COP(=O)(OC(C(Br)(Cl)Cl)Br)OC
• InChI: InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
• InChIKey: BUYMVQAILCEWRR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dibromo-2,2-dichloroethyl bis(^2H₃)methyl phosphate
• IUPAC传统名: 1,2-dibromo-2,2-dichloroethyl bis(^2H₃)methyl phosphate
• 别名: Phosphoric Acid 1,2-Dibromo-2,2-dichloroethyl Dimethyl-d6 Ester; 1,2-Dibromo-2,2-dichloroethyl Dimethyl-d6 Phosphate; Bromchlophos-d6; Bromex-d6; Dibrom-d6; ENT 24988-d6; Trumpet-d6; Naled-d6

登记号

• CAS号: 1216605-57-0
• PubChem SID: 164230829
• PubChem CID: 46782418

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.65178
• LogD (pH = 7.4): 2.65178
• Log P: 2.65178
• 摩尔折射率: 58.2459 cm^3
• 极化性: 23.810436 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Low-Melting Solid

安全信息

• 保存条件: Amber Vial, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - N245302

A labelled cholinesterase inhibitor. Insecticide; acaricide.

参考文献

• Gaines, T.B., et al.: Toxicol. Appl. Pharmacol., 14, 515 (1969)