2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol

• ChemBase编号: 6474
• 分子式: C10H6F16O2
• 平均质量: 462.1278912
• 单一同位素质量: 462.01123095
• SMILES: OCC(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H6F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h27-28H,1-2H2
• InChIKey: NSKCTPBWPZPFHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol
• 别名: 1H,1H,10H,10H-全氟-1,10-癸二醇; 十六氟-1,10-癸二醇; 1H,1H,10H,10H-Perfluorodecane-1,10-diol; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol; 1H,1H,10H,10H-Perfluoro-1,10-decanediol; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol; 1H,1H,10H,10H-Perfluorodecane-1,10-diol 96%

登记号

• CAS号: 754-96-1
• EC号: 000-000-0
• MDL号: MFCD00192200
• Beilstein号: 1894671
• PubChem SID: 160969781; 24865390
• PubChem CID: 2733404

理论计算性质

• Acid pKa: 12.320049
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 4.3964624
• LogD (pH = 7.4): 4.396457
• Log P: 4.3964624
• 摩尔折射率: 51.8976 cm^3
• 极化性: 20.594109 Å^3
• 极化表面积: 40.46 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 124°C; 132-134°C; 135-137 °C(lit.); 135-137°C
• 沸点: 132 °C/4 mmHg(lit.); 132°C/4mm; 132°C/4mm; 134°C/1mm

安全信息

• 保存注意事项: Irritant
• 德国WGK号: 3
• TSCA收录: false; 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 96%; 97%
• 线性分子式: HOCH2(CF2)8CH2OH

详细说明

Sigma Aldrich - 406600

包装
1, 5 g in glass bottle