bis(propan-2-yl) {[bis(propan-2-yloxy)phosphoryl]dichloromethyl}phosphonate

• ChemBase编号: 78427
• 分子式: C13H28Cl2O6P2
• 平均质量: 413.211342
• 单一同位素质量: 412.07381724
• SMILES: P(=O)(C(P(=O)(OC(C)C)OC(C)C)(Cl)Cl)(OC(C)C)OC(C)C
• Canonical SMILES: CC(OP(=O)(C(P(=O)(OC(C)C)OC(C)C)(Cl)Cl)OC(C)C)C
• InChI: InChI=1S/C13H28Cl2O6P2/c1-9(2)18-22(16,19-10(3)4)13(14,15)23(17,20-11(5)6)21-12(7)8/h9-12H,1-8H3
• InChIKey: OMTPMIYCEZYHFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(propan-2-yl) {[bis(propan-2-yloxy)phosphoryl]dichloromethyl}phosphonate
• IUPAC传统名: diisopropyl dichloro(diisopropoxyphosphoryl)methylphosphonate
• 别名: Tetraisopropyl dichloromethylenebisphosphonate; Tetraisopropyl (Dichloromethylene)diphosphonate; Tetraisopropyl (Dichloromethylene)bisphosphonate; Dichloromethylenebisphosphonate Tetraisopropyl Ester; Tetraisopropyl Dichloromethylene Diphosphonate

登记号

• CAS号: 10596-22-2
• PubChem SID: 162043194
• PubChem CID: 4193748

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.1644187
• LogD (pH = 7.4): 5.1644187
• Log P: 5.1644187
• 摩尔折射率: 92.8124 cm^3
• 极化性: 37.961056 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Carbon Tetrachloride; Chloroform; Dichloromethane
• 外观: Colourless Liquid

安全信息

• 保存注意事项: Irritant

详细说明

Toronto Research Chemicals - T296225

An intermediate in the sythesis of Clodronic Acid, Disodium Salt, Tetrahydrate, a biphosphonate bone resorption inhibitor.