pentafluorophenyl 3-(1,3-dioxolan-2-yl)thiophene-2-carboxylate

• ChemBase编号: 100261
• 分子式: C14H7F5O4S
• 平均质量: 366.259996
• 单一同位素质量: 365.9985208
• SMILES: O(c1c(c(c(c(c1F)F)F)F)F)C(=O)c1c(C2OCCO2)ccs1
• Canonical SMILES: O=C(c1sccc1C1OCCO1)Oc1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C14H7F5O4S/c15-6-7(16)9(18)11(10(19)8(6)17)23-13(20)12-5(1-4-24-12)14-21-2-3-22-14/h1,4,14H,2-3H2
• InChIKey: FHURIHOENRMCSL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentafluorophenyl 3-(1,3-dioxolan-2-yl)thiophene-2-carboxylate
• IUPAC传统名: pentafluorophenyl 3-(1,3-dioxolan-2-yl)thiophene-2-carboxylate
• 别名: Pentafluorophenyl 3-(1,3-dioxolan-2-yl)thiophene-2-carboxylate 97%; pentafluorophenyl 3-(1,3-dioxolan-2-yl)thiophene-2-carboxylate

登记号

• CAS号: 910037-02-4
• MDL号: MFCD09702392
• PubChem SID: 162086536
• PubChem CID: 24229594

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.2442265
• LogD (pH = 7.4): 4.2442265
• Log P: 4.2442265
• 摩尔折射率: 71.212 cm^3
• 极化性: 26.579971 Å^3
• 极化表面积: 44.76 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

• 熔点: 55.5-59.5°C

安全信息

• 保存注意事项: Harmful

产品相关信息

• 纯度: 97%