1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)-decahydronaphthalene

• ChemBase编号: 6447
• 分子式: C11F20
• 平均质量: 512.085764
• 单一同位素质量: 511.9680644
• SMILES: C1(C(C(C2(C(C1(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(C(F)(F)F)F)F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC1(F)C(F)(F)C(F)(F)C(C2(C1(F)C(F)(F)C(C(C2(F)C(F)(F)F)(F)F)(F)F)F)(F)F
• InChI: InChI=1S/C11F20/c12-1-2(13,6(19,20)10(27,28)9(25,26)4(1,15)16)5(17,18)8(23,24)7(21,22)3(1,14)11(29,30)31
• InChIKey: LWRNQOBXRHWPGE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)-decahydronaphthalene
• IUPAC传统名: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
• 别名: 全氟(甲基十氢化萘); Perfluoro(methyldecalin), tech.; Trifluoromethyl(perfluorodecahydronaphthalene); Heptadecafluorodecahydro(trifluoromethyl)naphthalene; Perfluoro(methyldecahydronaphthalene); Perfluoro(methyldecalin) 85%; FlutecR PP9

登记号

• CAS号: 51294-16-7; 306-92-3
• MDL号: MFCD00014326
• PubChem SID: 160969754
• PubChem CID: 39977

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.241647
• LogD (pH = 7.4): 6.241647
• Log P: 6.241647
• 摩尔折射率: 48.6371 cm^3
• 极化性: 20.165873 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -70°C; -70°C
• 沸点: 155°C; 160°C; ca 160°C
• 闪点: none°C
• 密度: 1.96; 1.960; 1.972
• 折射率: 1.3170; 1.3195

安全信息

• 保存注意事项: Irritant
• RTECS编号: QJ7175000
• TSCA收录: true; 否

产品相关信息

• 纯度: 85%; tech. 85%, ca 1:1 mixture of 1- and 2-isomers