2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl chloride

• ChemBase编号: 8231
• 分子式: C7HClF12O
• 平均质量: 364.5160784
• 单一同位素质量: 363.95243097
• SMILES: C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7HClF12O/c8-1(21)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H
• InChIKey: SQQWEKUYKNKPOG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl chloride
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl chloride
• 别名: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl chloride; 7H-Perfluoroheptanoyl chloride 98%; 7H-Dodecafluoroheptanoyl chloride

登记号

• CAS号: 41405-35-0
• MDL号: MFCD00153143
• PubChem SID: 160971538
• PubChem CID: 2776132

理论计算性质

• Acid pKa: 19.786774
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.4567657
• LogD (pH = 7.4): 4.4567657
• Log P: 4.4567657
• 摩尔折射率: 39.9627 cm^3
• 极化性: 15.922152 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 130-135°C
• 密度: 1.752
• 折射率: 1.323

安全信息

• 保存注意事项: CORROSIVE; Corrosive/Moisture Sensitive/Store under Argon
• TSCA收录: false

产品相关信息

• 纯度: 97%