tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate

• ChemBase编号: 7701
• 分子式: C12H6F21O4P
• 平均质量: 644.1138682
• 单一同位素质量: 643.96683792
• SMILES: O=P(OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)(COP(=O)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C12H6F21O4P/c13-4(14,7(19,20)10(25,26)27)1-35-38(34,36-2-5(15,16)8(21,22)11(28,29)30)37-3-6(17,18)9(23,24)12(31,32)33/h1-3H2
• InChIKey: SEKXXYCKRMKLQG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate
• IUPAC传统名: tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate
• 别名: Tris(1H,1H-heptafluorobutyl)phosphate 97%; Tris(1H,1H-heptafluorobutyl)phosphate

登记号

• CAS号: 563-09-7
• MDL号: MFCD00311371
• PubChem SID: 160971008
• PubChem CID: 2778036

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.1829233
• LogD (pH = 7.4): 7.1829233
• Log P: 7.1829233
• 摩尔折射率: 72.4571 cm^3
• 极化性: 28.796412 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: none°C

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%