(5-methyl-2,4-dinitrophenyl)hydrazine

• ChemBase ID: 92890
• Molecular Formular: C7H8N4O4
• Molecular Mass: 212.16282
• Monoisotopic Mass: 212.05455476
• SMILES: [N+](=O)(c1c(cc(c(c1)[N+](=O)[O-])C)NN)[O-]
• Canonical SMILES: NNc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C7H8N4O4/c1-4-2-5(9-8)7(11(14)15)3-6(4)10(12)13/h2-3,9H,8H2,1H3
• InChIKey: YBLLLDQIYSHJCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-2,4-dinitrophenyl)hydrazine
• IUPAC Traditional name: (5-methyl-2,4-dinitrophenyl)hydrazine
• Synonyms: 2,4-Dinitro-5-methylphenylhydrazine

Database IDs

• MDL Number: MFCD00221054
• PubChem SID: 162079588
• PubChem CID: 5013160

CALCULATED PROPERTIES

• Acid pKa: 12.535641
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.3471537
• LogD (pH = 7.4): 2.3957558
• Log P: 2.4082782
• Molar Refractivity: 55.4553 cm^3
• Polarizability: 18.57757 Å^3
• Polar Surface Area: 129.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant