tris(pentachlorophenyl)methyl

• ChemBase编号: 176366
• 分子式: C19Cl15
• 平均质量: 759.9983
• 单一同位素质量: 752.5327902
• SMILES: [C](c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1c([C](c2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C19Cl15/c20-5-2(6(21)12(27)17(32)11(5)26)1(3-7(22)13(28)18(33)14(29)8(3)23)4-9(24)15(30)19(34)16(31)10(4)25
• InChIKey: RIIUKLWLHHPRSL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(pentachlorophenyl)methyl
• IUPAC传统名: tris(pentachlorophenyl)methyl
• 别名: Tris(pentachlorophenyl)methyl; Perchlorotriphenylmethyl; Perchlorotriphenylmethyl Radical

登记号

• CAS号: 4070-01-3
• PubChem SID: 164232276
• PubChem CID: 12902084

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 13.3665
• LogD (pH = 7.4): 13.3665
• Log P: 13.3665
• 摩尔折射率: 151.6589 cm^3
• 极化性: 60.600338 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - P286100

Stable perchlorinated arylmethyl radical used as a spin probe to study other molecules, including polymers.

参考文献

• Yakimchenko, O.E. et al.: J. Phys. Chem., 99, 2038 (1995)
• Komova, N.N. et al.: Vyoskomol., Soed., Ser. Ai Ser. B, 44, 717 (1995)