3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol

• ChemBase编号: 12070
• 分子式: C10H5F17O
• 平均质量: 464.1189544
• 单一同位素质量: 464.00689452
• SMILES: FC(C(C(C(C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
• InChIKey: JJUBFBTUBACDHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol
• IUPAC传统名: 8:2 fluorotelomer alcohol; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol
• 别名: 1H,1H,2H,2H-全氟-1-癸醇; 1H,1H,2H,2H-十七氟正癸醇; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟-1-癸醇; 1H,1H,2H,2H-全氟-1-癸醇; 1H,1H,2H,2H-Perfluoro-1-decanol; 1H,1H,2H,2H-Heptadecafluoro-n-decanol; 1H,1H,2H,2H-Perfluoro-1-decanol; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanol; 1H,1H,2H,2H-Perfluoro-1-decanol; 2-(Perfluorooctyl)ethanol; 1H,1H,2H,2H-Perfluorodecan-1-ol 97%

登记号

• CAS号: 678-39-7
• EC号: 211-648-0
• MDL号: MFCD00039544
• Beilstein号: 2227487
• PubChem SID: 160975377; 24877914
• PubChem CID: 69619

理论计算性质

• Acid pKa: 15.763865
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 5.6113214
• LogD (pH = 7.4): 5.6113214
• Log P: 5.6113214
• 摩尔折射率: 50.8392 cm^3
• 极化性: 19.983082 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 45-50°C; 45-51°C; 50°C
• 沸点: 112-114°C/10mm; 112-114°C/10mm
• 闪点: >110 °C; >110°C; >230 °F

安全信息

• 保存注意事项: IRRITANT; Irritant
• 德国WGK号: 1
• TSCA收录: false; 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%
• 线性分子式: CF3(CF2)7CH2CH2OH

详细说明

Sigma Aldrich - 532789

包装
5, 25 g in glass bottle