2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-ol

• ChemBase编号: 12082
• 分子式: C6H3F11O
• 平均质量: 300.0698552
• 单一同位素质量: 300.00082514
• SMILES: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Canonical SMILES: OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H3F11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h18H,1H2
• InChIKey: QZFZPVVDBGXQTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-ol
• 别名: 1H,1H-Perfluorohexan-1-ol; 2,2,3,3,4,4,5,5,6,6,6-Eicosalfluorohexan-1-ol; 1H,1H-Perfluorohexan-1-ol 98%

登记号

• CAS号: 423-46-1
• MDL号: MFCD04038338
• PubChem SID: 160975389
• PubChem CID: 2782405

理论计算性质

• Acid pKa: 12.621077
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.23909
• LogD (pH = 7.4): 3.2390873
• Log P: 3.23909
• 摩尔折射率: 32.3834 cm^3
• 极化性: 12.666731 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: 128°C
• 闪点: none°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 98%