2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride

• ChemBase编号: 97437
• 分子式: C9HClF16O
• 平均质量: 464.5310912
• 单一同位素质量: 463.94604385
• SMILES: ClC(=O)C(C(C(F)(F)C(C(C(F)(F)C(F)(F)C(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C9HClF16O/c10-1(27)3(13,14)5(17,18)7(21,22)9(25,26)8(23,24)6(19,20)4(15,16)2(11)12/h2H
• InChIKey: RJYUFWDUKZUCSP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
• 别名: 9H-Perfluorononanoyl chloride 97%

登记号

• CAS号: 423-95-0
• MDL号: MFCD00042120
• PubChem SID: 162084044
• PubChem CID: 2776253

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.8580513
• LogD (pH = 7.4): 5.8580513
• Log P: 5.8580513
• 摩尔折射率: 49.2987 cm^3
• 极化性: 19.746223 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 166-170°C
• 密度: 1.803
• 折射率: 1.322

安全信息

• 保存注意事项: Corrosive