(2,4-dinitrophenyl)hydrazine hydrochloride

• ChemBase ID: 109969
• Molecular Formular: C6H7ClN4O4
• Molecular Mass: 234.59718
• Monoisotopic Mass: 234.0155824
• SMILES: Cl.NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-].Cl
• InChI: InChI=1S/C6H6N4O4.ClH/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;/h1-3,8H,7H2;1H
• InChIKey: PUYFAZQODQZOFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dinitrophenyl)hydrazine hydrochloride
• IUPAC Traditional name: 2,4-dinitrophenylhydrazine hydrochloride
• Synonyms: 2,4-DINITROPHENYLHYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 55907-61-4
• EC Number: 259-888-5
• PubChem SID: 162095847
• PubChem CID: 5463312

CALCULATED PROPERTIES

• Acid pKa: 12.44973
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.8387378
• LogD (pH = 7.4): 1.8818111
• Log P: 1.8948568
• Molar Refractivity: 50.4141 cm^3
• Polarizability: 16.839235 Å^3
• Polar Surface Area: 129.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:1-2
• Safety Statements: S:48