5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl chloride

• ChemBase编号: 57328
• 分子式: C5Cl2F8O
• 平均质量: 298.9461256
• 单一同位素质量: 297.91984574
• SMILES: C(C(C(C(=O)Cl)(F)F)(F)F)(C(F)(F)Cl)(F)F
• Canonical SMILES: ClC(=O)C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5Cl2F8O/c6-1(16)2(8,9)3(10,11)4(12,13)5(7,14)15
• InChIKey: FUWJMSXDKGZFFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl chloride
• IUPAC传统名: 5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl chloride
• 别名: 5-Chloroperfluoropentanoic acid; 5-Chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl chloride

登记号

• CAS号: 3110-03-0
• MDL号: MFCD00155685
• PubChem SID: 162062091
• PubChem CID: 2782488

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.7509272
• LogD (pH = 7.4): 3.7509272
• Log P: 3.7509272
• 摩尔折射率: 36.3512 cm^3
• 极化性: 14.082423 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 95-96°C

安全信息

• 保存注意事项: Corrosive/Moisture Sensitive; IRRITANT
• TSCA收录: false