(4-chloro-2-nitrophenyl)hydrazine

• ChemBase ID: 259033
• Molecular Formular: C6H6ClN3O2
• Molecular Mass: 187.58374
• Monoisotopic Mass: 187.01485413
• SMILES: [N+](=O)(c1c(ccc(c1)Cl)NN)[O-]
• Canonical SMILES: NNc1ccc(cc1[N+](=O)[O-])Cl
• InChI: InChI=1S/C6H6ClN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3,9H,8H2
• InChIKey: HMLXAWGHSCTGQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-2-nitrophenyl)hydrazine
• IUPAC Traditional name: (4-chloro-2-nitrophenyl)hydrazine
• Synonyms: (4-chloro-2-nitrophenyl)hydrazine

Database IDs

• MDL Number: MFCD00156320
• PubChem SID: 164314943
• PubChem CID: 3252031

CALCULATED PROPERTIES

• Acid pKa: 14.018439
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4942698
• LogD (pH = 7.4): 2.5565522
• Log P: 2.5589173
• Molar Refractivity: 47.8942 cm^3
• Polarizability: 16.735025 Å^3
• Polar Surface Area: 83.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 2.397

Product Information

• Purity: 95%