11-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6,16,16,17,17,18,18,19,19,20,20,21,21,21-hexacosafluoro-9,9,11,13,13-pentamethyl-10,12-dioxa-9,11,13-trisilahenicosane

• ChemBase编号: 94717
• 分子式: C21H23ClF26O2Si3
• 平均质量: 921.0741032
• 单一同位素质量: 920.02792097
• SMILES: [Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(O[Si](O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(C)Cl)(C)C
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Si](O[Si](O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(Cl)C)(C)C)F
• InChI: InChI=1S/C21H23ClF26O2Si3/c1-51(2,8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(43,44)45)49-53(5,22)50-52(3,4)9-7-11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)21(46,47)48/h6-9H2,1-5H3
• InChIKey: OYYHZXTWPXQWOH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 11-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6,16,16,17,17,18,18,19,19,20,20,21,21,21-hexacosafluoro-9,9,11,13,13-pentamethyl-10,12-dioxa-9,11,13-trisilahenicosane
• IUPAC传统名: 11-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6,16,16,17,17,18,18,19,19,20,20,21,21,21-hexacosafluoro-9,9,11,13,13-pentamethyl-10,12-dioxa-9,11,13-trisilahenicosane
• 别名: Bis[(1H,1H,2H,2H-perfluorooctyl)dimethylsiloxy]chloromethylsilane

登记号

• CAS号: 521069-01-2
• MDL号: MFCD03412141
• PubChem SID: 162081371
• PubChem CID: 45933609

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 14.699
• LogD (pH = 7.4): 14.699
• Log P: 14.699
• 摩尔折射率: 115.2708 cm^3
• 极化性: 50.19305 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 20
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 122-124°C/1.6mm
• 密度: 1.437

安全信息

• 保存注意事项: Corrosive

详细说明

Apollo Scientific Ltd - PC2240

Silylation reagent for fluorous phase synthesis