2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxirane

• ChemBase编号: 9019
• 分子式: C9H5F13O
• 平均质量: 376.1146416
• 单一同位素质量: 376.01328164
• SMILES: C(C(C(C(C(CC1OC1)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC1CO1)F
• InChI: InChI=1S/C9H5F13O/c10-4(11,1-3-2-23-3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,1-2H2
• InChIKey: KGYUZRBIQCDOCN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxirane
• IUPAC传统名: 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxirane
• 别名: (2,2,3,3,4,4,5,5,6,6,7,7,7-十三氟庚基)环氧乙烷; 3-(Perfluoro-n-hexyl)-1,2-propenoxide; 3-(Perfluorohexyl)-1,2-propenoxide 97%; (2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxirane

登记号

• CAS号: 38565-52-5
• EC号: 254-004-4
• MDL号: MFCD00042356
• PubChem SID: 160972326
• PubChem CID: 170073

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.7414045
• LogD (pH = 7.4): 4.7414045
• Log P: 4.7414045
• 摩尔折射率: 43.9556 cm^3
• 极化性: 17.226852 Å^3
• 极化表面积: 9.23 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: 80 °C/41 mmHg(lit.); 80°C/41mm
• 闪点: 195 °F; 91 °C; 91°C
• 密度: 1.637 g/mL at 25 °C(lit.); 1.645
• 折射率: 1.316; 1.319; n20/D 1.381(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• 德国WGK号: 3
• TSCA收录: false

产品相关信息

• 纯度: 95%; 97%
• Empirical Formula (Hill Notation): C9H5F13O