dibenzyl chlorophosphonate

• ChemBase编号: 166923
• 分子式: C14H14ClO3P
• 平均质量: 296.685921
• 单一同位素质量: 296.03690862
• SMILES: O(P(=O)(OCc1ccccc1)Cl)Cc1ccccc1
• Canonical SMILES: ClP(=O)(OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C14H14ClO3P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: YADJFRGSGWGMNH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dibenzyl chlorophosphonate
• IUPAC传统名: dibenzyl chlorophosphonate
• 别名: Chlorophosphoric Acid Dibenzyl Ester; Dibenzyl Phosphorochloridate; Dibenzylphosphoryl Chloride, [95%], in benzene - 10% w/v

登记号

• CAS号: 538-37-4
• PubChem SID: 162261056
• PubChem CID: 4641201

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.9501603
• LogD (pH = 7.4): 3.9501603
• Log P: 3.9501603
• 摩尔折射率: 76.4134 cm^3
• 极化性: 30.152487 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Benzene; Chloroform
• 外观: [95%] in Benzene - 10% w/v

安全信息

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

详细说明

Toronto Research Chemicals - D418200

Please note that this product is shipped in a cooler.

参考文献

• Atherton, F.R., et al.: JCS, 382 (1945)