tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate

• ChemBase编号: 7830
• 分子式: C15H9F24O4P
• 平均质量: 740.1649978
• 单一同位素质量: 739.98552268
• SMILES: O=P(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(COP(=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C15H9F24O4P/c16-4(17)10(28,29)13(34,35)7(22,23)1-41-44(40,42-2-8(24,25)14(36,37)11(30,31)5(18)19)43-3-9(26,27)15(38,39)12(32,33)6(20)21/h4-6H,1-3H2
• InChIKey: BSOLVVCARHZLMT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate
• IUPAC传统名: tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate
• 别名: Tris(1H,1H,5H-octafluoropentyl) phosphate 97%; Phosphoric acid tris(1H,1H,5H-octafluoro-N-pentyl)ester

登记号

• CAS号: 355-86-2
• MDL号: MFCD00054654
• PubChem SID: 160971137
• PubChem CID: 2778037

理论计算性质

• Acid pKa: 19.312416
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.81857
• LogD (pH = 7.4): 7.81857
• Log P: 7.81857
• 摩尔折射率: 83.792 cm^3
• 极化性: 34.034695 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 130°C/0.1mm
• 闪点: >100°C

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 85%

详细说明

Apollo Scientific Ltd - PC8751

Mass Spectrometry standard