4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol

• ChemBase编号: 9020
• 分子式: C9H5F13O
• 平均质量: 376.1146416
• 单一同位素质量: 376.01328164
• SMILES: C(C(C(C(C(/C=C/CO)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: OC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H5F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2,23H,3H2/b2-1+
• InChIKey: ATYZUVRSTXBJLR-OWOJBTEDSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol; (2E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
• IUPAC传统名: 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol; (2E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
• 别名: 1H,1H,2H,3H-Perfluoronon-2-en-1-ol; 3-(Perfluorohexyl)prop-2-en-1-ol 98%; 3-(Perfluoro-n-hexyl)prop-2-en-1-ol

登记号

• CAS号: 38550-47-9
• MDL号: MFCD00042355
• PubChem SID: 160972327
• PubChem CID: 5708693

理论计算性质

• Acid pKa: 15.609708
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.4669485
• LogD (pH = 7.4): 4.4669485
• Log P: 4.4669485
• 摩尔折射率: 47.37 cm^3
• 极化性: 17.507706 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 87-89°C/10mm
• 密度: 1.65; 1.650
• 折射率: 1.332

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%