2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

• ChemBase编号: 11984
• 分子式: C11H8F6O
• 平均质量: 270.1710392
• 单一同位素质量: 270.0479342
• SMILES: c1c(ccc(c1)C(C(F)(F)F)(C(F)(F)F)O)C=C
• Canonical SMILES: C=Cc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O
• InChI: InChI=1S/C11H8F6O/c1-2-7-3-5-8(6-4-7)9(18,10(12,13)14)11(15,16)17/h2-6,18H,1H2
• InChIKey: RHDPTOIUYREFCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
• IUPAC传统名: 2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
• 别名: 1,1,1,3,3,3-Hexafluoro-2-(4-vinylphenyl)-propan-2-ol; 4-HFA-ST; 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)styrene; 1-Ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)benzene; 1,1,1,3,3,3-Hexafluoro-2-(4-vinylphenyl)propan-2-ol 97%

登记号

• CAS号: 122056-08-0
• MDL号: MFCD04038310
• PubChem SID: 160975291
• PubChem CID: 2782377

理论计算性质

• Acid pKa: 7.423181
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.831179
• LogD (pH = 7.4): 3.5471444
• Log P: 3.8363264
• 摩尔折射率: 53.0202 cm^3
• 极化性: 18.982979 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 74-75°C/3mm

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%

详细说明

Apollo Scientific Ltd - PC5582

Inhibited with 0.01% BHT