4-phenyl-5-(trifluoromethyl)thiophene-3-sulfonyl chloride

• ChemBase编号: 96430
• 分子式: C11H6ClF3O2S2
• 平均质量: 326.7423496
• 单一同位素质量: 325.94498377
• SMILES: S(=O)(=O)(c1csc(c1c1ccccc1)C(F)(F)F)Cl
• Canonical SMILES: FC(c1scc(c1c1ccccc1)S(=O)(=O)Cl)(F)F
• InChI: InChI=1S/C11H6ClF3O2S2/c12-19(16,17)8-6-18-10(11(13,14)15)9(8)7-4-2-1-3-5-7/h1-6H
• InChIKey: OSYDWXUOQYZLKB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-phenyl-5-(trifluoromethyl)thiophene-3-sulfonyl chloride
• IUPAC传统名: 4-phenyl-5-(trifluoromethyl)thiophene-3-sulfonyl chloride
• 别名: 3-(Chlorosulphonyl)-4-phenyl-5-(trifluoromethyl)thiophene; 4-Phenyl-5-(trifluoromethyl)thiophene-3-sulphonyl chloride; 4-phenyl-5-(trifluoromethyl)thiophene-3-sulfonyl chloride

登记号

• CAS号: 680215-52-5
• MDL号: MFCD02090165
• PubChem SID: 162083079
• PubChem CID: 2781491

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.357504
• LogD (pH = 7.4): 4.357504
• Log P: 4.357504
• 摩尔折射率: 68.252 cm^3
• 极化性: 27.225237 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 85-87°C

安全信息

• 保存注意事项: Corrosive/Keep Cold/Store under Argon

产品相关信息

• 纯度: TECH