2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol

• ChemBase编号: 8263
• 分子式: C5H3F9O
• 平均质量: 250.0623488
• 单一同位素质量: 250.0040187
• SMILES: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
• Canonical SMILES: OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2
• InChIKey: PJRIQFXPYMVWOU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
• 别名: (Perfluorobut-1-yl)methanol; 2,2,3,3,4,4,5,5,5-Nonafluoropentan-1-ol; 1H,1H-Nonafluoropentan-1-ol 97%; 1H,1H-Perfluoropentan-1-ol

登记号

• CAS号: 355-28-2
• MDL号: MFCD00236714
• PubChem SID: 160971570
• PubChem CID: 2782394

理论计算性质

• Acid pKa: 12.620877
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.5384474
• LogD (pH = 7.4): 2.5384448
• Log P: 2.5384474
• 摩尔折射率: 27.7154 cm^3
• 极化性: 10.752564 Å^3
• 极化表面积: 20.23 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: 110-111°C; 77°C/173mm
• 闪点: none°C
• 密度: 1.664
• 折射率: 1.300

安全信息

• 保存注意事项: IRRITANT; Irritant/Moisture Sensitive/Store under Argon
• TSCA收录: false

产品相关信息

• 纯度: 97%