bromobis(pentafluorophenyl)phosphane

• ChemBase编号: 99256
• 分子式: C12BrF10P
• 平均质量: 444.990193
• 单一同位素质量: 443.87613083
• SMILES: P(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)Br
• Canonical SMILES: BrP(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C12BrF10P/c13-24(11-7(20)3(16)1(14)4(17)8(11)21)12-9(22)5(18)2(15)6(19)10(12)23
• InChIKey: WDFHFZAPZSABGO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bromobis(pentafluorophenyl)phosphane
• IUPAC传统名: bromobis(pentafluorophenyl)phosphane
• 别名: Bis(pentafluorophenyl)phosphinous bromide; Bis(perfluorophenyl)bromophosphine

登记号

• CAS号: 13648-79-8
• MDL号: MFCD09763603
• PubChem SID: 162085540
• PubChem CID: 550610

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.8345
• LogD (pH = 7.4): 5.8345
• Log P: 5.8345
• 摩尔折射率: 67.0478 cm^3
• 极化性: 24.467192 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 112-114°C/0.5mm
• 闪点: >110°C

安全信息

• 保存注意事项: Irritant