2,2,3,3,4,4,5,5-octafluoropentanoyl bromide

• ChemBase编号: 9889
• 分子式: C5HBrF8O
• 平均质量: 308.9520656
• 单一同位素质量: 307.90830241
• SMILES: O=C(C(C(C(C(F)F)(F)F)(F)F)(F)F)Br
• Canonical SMILES: FC(C(C(C(C(=O)Br)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5HBrF8O/c6-1(15)3(9,10)5(13,14)4(11,12)2(7)8/h2H
• InChIKey: HCDUVTZKWYZNJA-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 376-69-2
• MDL号: MFCD00155901
• PubChem SID: 160973196
• PubChem CID: 2775872

理论计算性质

• 极化性: 13.418346 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
• Acid pKa: 19.782051
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.205533
• LogD (pH = 7.4): 3.205533
• Log P: 3.205533
• 摩尔折射率: 33.2256 cm^3

分子性质

理化性质

• 沸点: 100-103°C

安全信息

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

产品相关信息

• 纯度: 97%