3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol

• ChemBase编号: 7259
• 分子式: C6H5F9O
• 平均质量: 264.0889288
• 单一同位素质量: 264.01966876
• SMILES: C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
• InChIKey: JCMNMOBHVPONLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
• IUPAC传统名: 3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
• 别名: 3,3,4,4,5,5,6,6,6-九氟-1-己醇; 1H,1H,2H,2H-全氟己-1-醇; 2-(Nonafluorobut-1-yl)ethan-1-ol; 2-(Perfluorobut-1-yl)ethan-1-ol; 3,3,4,4,5,5,6,6,6-Nonafluorohexan-1-ol 97%; 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanol; 1H,1H,2H,2H-Perfluorohexan-1-ol; 1H,1H,2H,2H-Perfluorohexan-1-ol

登记号

• CAS号: 2043-47-2
• EC号: 218-050-9
• MDL号: MFCD00039543
• PubChem SID: 160970566; 24877913
• PubChem CID: 74883

理论计算性质

• Acid pKa: 15.763862
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.8087504
• LogD (pH = 7.4): 2.8087504
• Log P: 2.8087504
• 摩尔折射率: 32.1672 cm^3
• 极化性: 12.346117 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 140-143 °C(lit.); 140-143°C
• 闪点: 163.4 °F; 73 °C; 73°C
• 密度: 1.59; 1.59 g/mL at 25 °C(lit.)
• 折射率: 1.319; n20/D 1.314(lit.)

安全信息

• 保存注意事项: Irritant/Air Sensitive/Store under Argon
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: 97%
• 线性分子式: CF3(CF2)3(CH2)2OH

详细说明

Sigma Aldrich - 532770

包装
25 g in glass bottle