10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

• ChemBase编号: 15255
• 分子式: C10H4BrF17
• 平均质量: 527.0156144
• 单一同位素质量: 525.92249187
• SMILES: C(CC(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: BrCCC(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/C10H4BrF17/c11-2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1-2H2
• InChIKey: TWWJQNJBBMHHAO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
• IUPAC传统名: 10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
• 别名: 1-Bromo-1H,1H,2H,2H-perfluorodecane; 2-(Perfluorooct-1-yl)ethyl bromide; 1-Bromo-2-(perfluorooct-1-yl)ethane; 10-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane; 1-Bromo-1H,1H,2H,2H-heptadecafluorodecane

登记号

• CAS号: 21652-57-3
• MDL号: MFCD04039296
• PubChem SID: 160978562
• PubChem CID: 2782246

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.151408
• LogD (pH = 7.4): 7.151408
• Log P: 7.151408
• 摩尔折射率: 56.8737 cm^3
• 极化性: 22.458954 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 23.6-23.9°C
• 沸点: 84°C/10mm
• 密度: 1.758

安全信息

• 保存注意事项: IRRITANT; Irritant/Light Sensitive/Store under Argon/Keep Cold
• TSCA收录: false

产品相关信息

• 纯度: 97%