2-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methyl}oxirane

• ChemBase编号: 98334
• 分子式: C8H8F8O2
• 平均质量: 288.1351456
• 单一同位素质量: 288.03965526
• SMILES: O1CC1COCC(C(C(C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(COCC1OC1)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H8F8O2/c9-5(10)7(13,14)8(15,16)6(11,12)3-17-1-4-2-18-4/h4-5H,1-3H2
• InChIKey: NABHRPSATHTFNS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methyl}oxirane
• IUPAC传统名: 2-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methyl}oxirane
• 别名: 3-(1H,1H,5H八氟戊氧基)-1,2-氧化丙烯; Glycidyl 2,2,3,3,4,4,5,5-octafluoropentyl ether; 3-(1H,1H,5H-Octafluoropentyloxy)-1,2-propenoxide 97%

登记号

• CAS号: 19932-27-5
• MDL号: MFCD00054692
• PubChem SID: 162084778; 24870964
• PubChem CID: 2775886

理论计算性质

• Acid pKa: 19.789547
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.53408
• LogD (pH = 7.4): 2.53408
• Log P: 2.53408
• 摩尔折射率: 40.3216 cm^3
• 极化性: 15.782519 Å^3
• 极化表面积: 18.46 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: 75-79 °C/4 mmHg(lit.); 75-79°C/4mm
• 闪点: 107 °C; 224.6 °F
• 密度: 1.509; 1.509 g/mL at 25 °C(lit.)
• 折射率: 1.353; n20/D 1.353(lit.)

安全信息

• 保存注意事项: Flammable
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: 96%
• Empirical Formula (Hill Notation): C8H8F8O2

详细说明

Sigma Aldrich - 474169

包装
5 mL in glass bottle