(2-nitrophenyl)hydrazine hydrochloride

• ChemBase ID: 69930
• Molecular Formular: C6H8ClN3O2
• Molecular Mass: 189.59962
• Monoisotopic Mass: 189.03050419
• SMILES: N(N)c1c(cccc1)[N+](=O)[O-].Cl
• Canonical SMILES: NNc1ccccc1[N+](=O)[O-].Cl
• InChI: InChI=1S/C6H7N3O2.ClH/c7-8-5-3-1-2-4-6(5)9(10)11;/h1-4,8H,7H2;1H
• InChIKey: XCUBVSAYUSFHNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-nitrophenyl)hydrazine hydrochloride
• IUPAC Traditional name: 2-nitrophenylhydrazine hydrochloride
• Synonyms: 2-Nitrophenylhydrazine hydrochloride; 2-Hydrazinonitrobenzene hydrochloride; (2-nitrophenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 6293-87-4
• MDL Number: MFCD00060205
• PubChem SID: 162035655
• PubChem CID: 5743520

CALCULATED PROPERTIES

• Acid pKa: 13.937985
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8925923
• LogD (pH = 7.4): 1.9540302
• Log P: 1.9548726
• Molar Refractivity: 42.0852 cm^3
• Polarizability: 14.794445 Å^3
• Polar Surface Area: 81.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90 - 92°C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: Highly Flammable/Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%