bis(2,4-dichlorophenyl) chlorophosphonate

• ChemBase编号: 162266
• 分子式: C12H6Cl5O3P
• 平均质量: 406.413001
• 单一同位素质量: 403.84971908
• SMILES: O(c1ccc(cc1Cl)Cl)P(=O)(Oc1c(cc(cc1)Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)OP(=O)(Oc1ccc(cc1Cl)Cl)Cl
• InChI: InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
• InChIKey: RHQSBXZVIMBYKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(2,4-dichlorophenyl) chlorophosphonate
• IUPAC传统名: bis(2,4-dichlorophenyl) chlorophosphonate
• 别名: Phosphorochloridic Acid Bis(2,4-dichlorophenyl) Ester; Bis(2,4-dichlorophenol) Phosphorochloridate; Bis(2,4-dichlorophenyl) Phosphorochloridate; Bis(2,4-dichlorophenyl) Chlorophosphate; Bis(2,4-dichlorophenyl) phosphorochloridate

登记号

• CAS号: 14254-41-2
• MDL号: MFCD00674034
• PubChem SID: 162256401
• PubChem CID: 5012072

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.2333097
• LogD (pH = 7.4): 6.2333097
• Log P: 6.2333097
• 摩尔折射率: 85.9626 cm^3
• 极化性: 34.27943 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - B426215

A phosphate catalyst used in the direct conversion of alcohols to azides via activation. It also acts as a coupling agent in the synthesis of oligonucleotide phosphorodithioates.

参考文献

• Yu, C. et al.: Org. Lett., 2, 1959 (2000)
• Kamaike, K. et al.: Nucleic Acids. Res. Supp., 3, 93 (2000)