1-bromo-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzene

• ChemBase编号: 158161
• 分子式: C16H8BrF17
• 平均质量: 603.1115744
• 单一同位素质量: 601.953792
• SMILES: c1cc(ccc1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br
• Canonical SMILES: Brc1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C16H8BrF17/c17-8-3-1-7(2-4-8)5-6-9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)34/h1-4H,5-6H2
• InChIKey: ZNXIJEQOEWFHQW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-bromo-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzene
• IUPAC传统名: 1-bromo-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzene
• 别名: 1-溴-4-(1H,1H,2H,2H-全氟癸基)苯; 10-(4-溴苯基)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟癸烷; 1-溴-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)苯; 1-Bromo-4-(1H,1H,2H,2H-perfluorodecyl)benzene; 10-(4-Bromophenyl)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane; 1-Bromo-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzene

登记号

• CAS号: 195324-88-0
• MDL号: MFCD03788340
• Beilstein号: 7732237
• PubChem SID: 162252297; 24889748
• PubChem CID: 4277322

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.028874
• LogD (pH = 7.4): 9.028874
• Log P: 9.028874
• 摩尔折射率: 81.7969 cm^3
• 极化性: 30.843332 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 52-57 °C

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: >97.0% (GCF)
• Empirical Formula (Hill Notation): C16H8BrF17

详细说明

Sigma Aldrich - 93037

Other Notes
在氟两相体系中反应可合成氟代三苯基膦1,2
包装
1 g in poly tube
5 g in poly bottle