methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate

• ChemBase编号: 9477
• 分子式: C10H3F17O2
• 平均质量: 478.1024744
• 单一同位素质量: 477.98615908
• SMILES: FC(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H3F17O2/c1-29-2(28)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H3
• InChIKey: CFNCFMKWDPDIPT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
• IUPAC传统名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
• 别名: 全氟壬酸甲酯; Perfluorononanoic acid methyl ester; Methyl perfluorononanoate; Methyl perfluorononanoate; Methyl perfluorononanoate 98%

登记号

• CAS号: 51502-45-5
• MDL号: MFCD00153213
• Beilstein号: 2315727
• PubChem SID: 160972784
• PubChem CID: 2775476

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.959376
• LogD (pH = 7.4): 5.959376
• Log P: 5.959376
• 摩尔折射率: 51.099 cm^3
• 极化性: 20.360746 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 63-65°C; 63-65°C10mm
• 闪点: >110°C; >110°C(230°F)
• 折射率: 1.307; 1.3070

安全信息

• 保存注意事项: Flammable; IRRITANT
• TSCA收录: false; 否

产品相关信息

• 纯度: 96%; 98%