2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane

• ChemBase编号: 98817
• 分子式: C11H5F17O
• 平均质量: 476.1296544
• 单一同位素质量: 476.00689452
• SMILES: FC(F)(C(F)(C(C(C(CC1CO1)(F)F)(F)F)(F)F)F)C(C(F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(CC1OC1)(F)F)F
• InChI: InChI=1S/C11H5F17O/c12-4(13,1-3-2-29-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,1-2H2
• InChIKey: HMXSIEIEXLGIET-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane
• IUPAC传统名: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane
• 别名: 3-(全氟正辛基)-1,2-环氧丙烷; 3-(Perfluorooctyl)-1,2-propenoxide- SynQ name - JyW 22/07/11; 3-(Perfluorooctyl)-1,2-propenoxide 97%; (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxirane

登记号

• CAS号: 38565-53-6
• EC号: 254-006-5
• MDL号: MFCD00042362
• PubChem SID: 162085180; 24870957
• PubChem CID: 571982

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.1426897
• LogD (pH = 7.4): 6.1426897
• Log P: 6.1426897
• 摩尔折射率: 53.2916 cm^3
• 极化性: 21.04262 Å^3
• 极化表面积: 9.23 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

• 沸点: 87 °C/19 mmHg(lit.); 87°C/19mm
• 闪点: >113 °C; >235.4 °F
• 密度: 1.712 g/mL at 25 °C(lit.); 1.714
• 折射率: 1.32; n20/D 1.32(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): C11H5F17O

详细说明

Sigma Aldrich - 474088

包装
25 mL in poly bottle
5 mL in glass bottle