1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

• ChemBase编号: 7873
• 分子式: C6BrF11
• 平均质量: 360.9506352
• 单一同位素质量: 359.90077242
• SMILES: C1(C(C(C(C(C1(F)F)(F)F)(Br)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)Br)(F)F
• InChI: InChI=1S/C6BrF11/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
• InChIKey: ZAGWQKRFOLDLGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
• IUPAC传统名: 1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
• 别名: 1-Bromoundecafluorocyclohexane; Bromoperfluorocyclohexane 97%

登记号

• CAS号: 336-13-0
• MDL号: MFCD00153732
• PubChem SID: 160971180
• PubChem CID: 2736357

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.887287
• LogD (pH = 7.4): 4.887287
• Log P: 4.887287
• 摩尔折射率: 35.7431 cm^3
• 极化性: 14.586608 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 92°C/735mm

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%