[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine

• ChemBase编号: 95535
• 分子式: C7H5F3N4O4
• 平均质量: 266.1342096
• 单一同位素质量: 266.02628932
• SMILES: [N+](=O)(c1cc(cc(c1NN)[N+](=O)[O-])C(F)(F)F)[O-]
• Canonical SMILES: NNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
• InChI: InChI=1S/C7H5F3N4O4/c8-7(9,10)3-1-4(13(15)16)6(12-11)5(2-3)14(17)18/h1-2,12H,11H2
• InChIKey: ONKIRGVIGHJYHR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine
• IUPAC传统名: [2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine
• 别名: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazine; (2,6-Dinitro-4-trifluoromethyl-phenyl)-hydrazine

登记号

• CAS号: 2002-68-8
• MDL号: MFCD00047814
• PubChem SID: 162082184
• PubChem CID: 3755830

理论计算性质

• Acid pKa: 3.6566503
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 2.2456472
• LogD (pH = 7.4): 2.25159
• Log P: 2.7727053
• 摩尔折射率: 56.3878 cm^3
• 极化性: 18.427013 Å^3
• 极化表面积: 129.69 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: 129 - 131°C
• 疏水性(logP): 2.574

产品相关信息

• 纯度: 95%