1,2,3,4,5-pentafluoro-6-(pentafluoroprop-2-en-1-yl)benzene

• ChemBase编号: 7779
• 分子式: C9F10
• 平均质量: 298.080332
• 单一同位素质量: 297.9840322
• SMILES: c1(c(c(c(c(c1F)C(C(=C(F)F)F)(F)F)F)F)F)F
• Canonical SMILES: FC(=C(C(c1c(F)c(F)c(c(c1F)F)F)(F)F)F)F
• InChI: InChI=1S/C9F10/c10-2-1(9(18,19)7(15)8(16)17)3(11)5(13)6(14)4(2)12
• InChIKey: WRHBYJDZKRNITP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,3,4,5-pentafluoro-6-(pentafluoroprop-2-en-1-yl)benzene
• IUPAC传统名: 1,2,3,4,5-pentafluoro-6-(pentafluoroprop-2-en-1-yl)benzene
• 别名: 十氟烯丙基苯; 全氟烯丙基苯; Decafluoroallylbenzene; 3-(Pentafluorophenyl)pentafluoro-1-propene; Perfluoro(allylbenzene); Perfluoro(allylbenzene); Decafluoroallylbenzene; Perfluoroallylbenzene; 3-(Pentafluorophenyl)pentafluoroprop-1-ene 98%

登记号

• CAS号: 67899-41-6
• MDL号: MFCD00153225
• Beilstein号: 3563178
• PubChem SID: 160971086; 24887126
• PubChem CID: 2775989

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.9959705
• LogD (pH = 7.4): 3.9959705
• Log P: 3.9959705
• 摩尔折射率: 52.7517 cm^3
• 极化性: 14.841279 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 密度: 1.708; 1.708 g/mL at 20 °C(lit.)
• 折射率: n20/D 1.383

安全信息

• 保存注意事项: Irritant; STORED UNDER ARGON
• 德国WGK号: 3
• TSCA收录: false; 否
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (GC); 97%
• 线性分子式: C6F5CF2CF=CF2