pentadecafluorooctanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

• ChemBase编号: 8870
• 分子式: C16F30O3
• 平均质量: 810.121496
• 单一同位素质量: 809.93684046
• SMILES: C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(=O)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C16F30O3/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1(47)49-2(48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46
• InChIKey: NBEDTLDKOMPAQK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentadecafluorooctanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• IUPAC传统名: pentadecafluorooctanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• 别名: Perfluorooctanoic anhydride; Perfluorooctanoic anhydride 97%

登记号

• CAS号: 33496-48-9
• MDL号: MFCD00039243
• PubChem SID: 160972177
• PubChem CID: 118491

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 10.359851
• LogD (pH = 7.4): 10.359851
• Log P: 10.359851
• 摩尔折射率: 80.1184 cm^3
• 极化性: 32.37363 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 100°C/15mm

安全信息

• 保存注意事项: CORROSIVE; Corrosive
• TSCA收录: true

产品相关信息

• 纯度: 97%

详细说明

MP Biomedicals - 05225446

MP Biomedicals Rare Chemical collection