2,2,2-trifluoro-N'-(trifluoroacetyl)acetohydrazide

• ChemBase编号: 94642
• 分子式: C4H2F6N2O2
• 平均质量: 224.0612992
• 单一同位素质量: 224.00204663
• SMILES: N(NC(=O)C(F)(F)F)C(=O)C(F)(F)F
• Canonical SMILES: O=C(C(F)(F)F)NNC(=O)C(F)(F)F
• InChI: InChI=1S/C4H2F6N2O2/c5-3(6,7)1(13)11-12-2(14)4(8,9)10/h(H,11,13)(H,12,14)
• InChIKey: UNVFMKVRYRCPIS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,2-trifluoro-N'-(trifluoroacetyl)acetohydrazide
• IUPAC传统名: 2,2,2-trifluoro-N'-(trifluoroacetyl)acetohydrazide
• 别名: N,N'-Bis(trifluoroacetyl)hydrazine 97%

登记号

• MDL号: MFCD00465374
• PubChem SID: 162081296
• PubChem CID: 229754

理论计算性质

• Acid pKa: 0.41450968
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.240263
• LogD (pH = 7.4): -1.2409605
• Log P: 0.6449196
• 摩尔折射率: 29.3522 cm^3
• 极化性: 10.819174 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant

详细说明

Apollo Scientific Ltd - PC2098

Excellent precursor for Trifluoroacetylhydrazide.Used in NMR studies of acylated hydrazines