2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane

• ChemBase编号: 98794
• 分子式: C12H5F19O
• 平均质量: 526.1371608
• 单一同位素质量: 526.00370096
• SMILES: FC(C(F)(C(C(C(C(CC1CO1)(F)F)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(C(CC1OC1)(F)F)F
• InChI: InChI=1S/C12H5F19O/c13-4(14,1-3-2-32-3)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3H,1-2H2
• InChIKey: ZFJPGQQBBNLQOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane
• IUPAC传统名: 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane
• 别名: [2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-十六氟-8-(三氟甲基)壬基]环氧乙烷; 3-(Perfluoro-7-methyloctyl)-1,2-propenoxide; [2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane

登记号

• CAS号: 41925-33-1
• EC号: 255-587-8
• MDL号: MFCD00236089
• PubChem SID: 162085159; 24870960
• PubChem CID: 2776238

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.581669
• LogD (pH = 7.4): 6.581669
• Log P: 6.581669
• 摩尔折射率: 58.2337 cm^3
• 极化性: 22.955517 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 93-94 °C/8 mmHg(lit.); 93-94°C/8mm
• 闪点: >113 °C; >235.4 °F
• 密度: 1.757; 1.757 g/mL at 25 °C(lit.)
• 折射率: 1.323; n20/D 1.324(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): C12H5F19O

详细说明

Sigma Aldrich - 474134

包装
25 mL in glass bottle