(2-chloro-4-nitrophenyl)hydrazine

• ChemBase ID: 269284
• Molecular Formular: C6H6ClN3O2
• Molecular Mass: 187.58374
• Monoisotopic Mass: 187.01485413
• SMILES: [N+](=O)(c1cc(c(cc1)NN)Cl)[O-]
• Canonical SMILES: NNc1ccc(cc1Cl)[N+](=O)[O-]
• InChI: InChI=1S/C6H6ClN3O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H,8H2
• InChIKey: JBFZYCIJRNJFOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02656456
• PubChem SID: 164325194
• PubChem CID: 5029294

CALCULATED PROPERTIES

• Acid pKa: 15.705059
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8232195
• LogD (pH = 7.4): 1.9075414
• Log P: 1.9089173
• Molar Refractivity: 47.8942 cm^3
• Polarizability: 16.74893 Å^3
• Polar Surface Area: 83.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 2.475

Product Information

• Purity: 95%