1-bromo-4-(heptadecafluorooctyl)benzene

• ChemBase编号: 152412
• 分子式: C14H4BrF17
• 平均质量: 575.0584144
• 单一同位素质量: 573.92249187
• SMILES: c1cc(ccc1C(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)C(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/C14H4BrF17/c15-6-3-1-5(2-4-6)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)32/h1-4H
• InChIKey: XDEOJAJPLXXYKA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-bromo-4-(heptadecafluorooctyl)benzene
• IUPAC传统名: 1-bromo-4-(heptadecafluorooctyl)benzene
• 别名: 1-溴-4-(全氟辛基)苯; 1-溴-4-(十七氟辛基)苯; 1-Bromo-4-(perfluorooctyl)benzene; 1-Bromo-4-(heptadecafluorooctyl)benzene

登记号

• CAS号: 206560-77-2
• MDL号: MFCD03791078
• Beilstein号: 7895098
• PubChem SID: 24865580; 162246557
• PubChem CID: 4117657

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.524346
• LogD (pH = 7.4): 8.524346
• Log P: 8.524346
• 摩尔折射率: 72.3305 cm^3
• 极化性: 27.604237 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 35-40 °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: ≥95.0%
• Empirical Formula (Hill Notation): C14H4BrF17

详细说明

Sigma Aldrich - 40859

Other Notes
制备全氟烷基苯基衍生物1；合成全氟标记膦，用于氟两相体系中的 Stille 偶联反应2
包装
1 g in poly tube