5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-2,4-dione

• ChemBase编号: 12078
• 分子式: C10H5F13O2
• 平均质量: 404.1247416
• 单一同位素质量: 404.00819626
• SMILES: FC(C(C(C(C(C(C(=O)CC(=O)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: CC(=O)CC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F13O2/c1-3(24)2-4(25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H2,1H3
• InChIKey: VMRLNPHYYNLINM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-2,4-dione
• IUPAC传统名: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-2,4-dione
• 别名: (Perfluoroheptanoyl)acetone; 5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2,4-dione; (Perfluoroheptanoyl)acetone 97%

登记号

• CAS号: 82822-26-2
• MDL号: MFCD04038336
• PubChem SID: 160975385
• PubChem CID: 2782404

理论计算性质

• Acid pKa: 1.5487045
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.8480476
• LogD (pH = 7.4): 1.7804987
• Log P: 4.963676
• 摩尔折射率: 50.4402 cm^3
• 极化性: 19.233221 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: none°C

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%