1-chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane

• ChemBase编号: 11815
• 分子式: C8Cl2F16O
• 平均质量: 486.9654512
• 单一同位素质量: 485.9070715
• SMILES: O(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(Cl)(F)F)(F)F)(F)F)(OC(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8Cl2F16O/c9-5(19,20)1(11,12)3(15,16)7(23,24)27-8(25,26)4(17,18)2(13,14)6(10,21)22
• InChIKey: YGAVLUGHTWKNCY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane
• IUPAC传统名: 1-chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane
• 别名: Bis(4-chlorooctafluorobutyl)ether; 1,9-Dichloroperfluoro-5-oxanonane; Bis(4-chlorooctafluorobutyl) ether 97%

登记号

• CAS号: 149697-40-5
• MDL号: MFCD03094104
• PubChem SID: 160975122
• PubChem CID: 2737791

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.9469633
• LogD (pH = 7.4): 6.9469633
• Log P: 6.9469633
• 摩尔折射率: 53.3845 cm^3
• 极化性: 20.614176 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%