2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl)oxy]methyl}oxirane

• ChemBase编号: 97439
• 分子式: C12H8F16O2
• 平均质量: 488.1651712
• 单一同位素质量: 488.02688102
• SMILES: O(CC(C(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)F)(F)F)(F)F)(F)F)(F)F)CC1CO1
• Canonical SMILES: FC(C(C(C(C(C(C(C(COCC1CO1)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C12H8F16O2/c13-5(14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)3-29-1-4-2-30-4/h4-5H,1-3H2
• InChIKey: AVKVPTNDWAGIMH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl)oxy]methyl}oxirane
• IUPAC传统名: 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl)oxy]methyl}oxirane
• 别名: 缩水甘油醚十六氟壬基醚; Glycidyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl ether; 2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoronon-1-yl)oxy]methyl}oxirane; 3-[(1H,1H,9H-Perfluoronon-1-yl)oxy]-1,2-propenoxide 97%

登记号

• CAS号: 125370-60-7
• MDL号: MFCD00236091
• PubChem SID: 24870967; 162084046
• PubChem CID: 2776262

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.336651
• LogD (pH = 7.4): 5.336651
• Log P: 5.336651
• 摩尔折射率: 58.9936 cm^3
• 极化性: 23.320631 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 251 °C(lit.); 251°C
• 闪点: >113 °C; >113°C; >235.4 °F
• 密度: 1.682; 1.682 g/mL at 25 °C(lit.)
• 折射率: 1.342; n20/D 1.342(lit.)

安全信息

• 保存注意事项: Irritant
• 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): C12H8F16O2

详细说明

Sigma Aldrich - 474185

包装
5 mL in glass bottle