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

• ChemBase编号: 9892
• 分子式: C5HClF8O
• 平均质量: 264.5010656
• 单一同位素质量: 263.95881809
• SMILES: C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5HClF8O/c6-1(15)3(9,10)5(13,14)4(11,12)2(7)8/h2H
• InChIKey: GMTHNTFUIUGECX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5-octafluoropentanoyl chloride
• IUPAC传统名: 2,2,3,3,4,4,5,5-octafluoropentanoyl chloride
• 别名: 5H-Octafluoropentanoyl chloride; 5H-Octafluorovaleroyl chloride; 2,2,3,3,4,4,5,5-Octafluoropentanoyl chloride; 5H-Octafluoropentanoyl chloride 97%

登记号

• CAS号: 376-71-6
• MDL号: MFCD00153221
• PubChem SID: 160973199
• PubChem CID: 2775875

理论计算性质

• Acid pKa: 19.781778
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.0554802
• LogD (pH = 7.4): 3.0554802
• Log P: 3.0554802
• 摩尔折射率: 30.6267 cm^3
• 极化性: 12.107312 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: 85-88°C; 86-88°C
• 密度: 1.67; 1.670
• 折射率: 1.324

安全信息

• 保存注意事项: Corrosive/Irritant/Lachrymatory/Stench/Moisture Sensitive/Store under Argon/Keep Cold; STENCH, CORROSIVE
• TSCA收录: false

产品相关信息

• 纯度: 97%