2-(2-chlorophenyl)acetohydrazide

• ChemBase ID: 27295
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: C(=O)(Cc1c(Cl)cccc1)NN
• Canonical SMILES: NNC(=O)Cc1ccccc1Cl
• InChI: InChI=1S/C8H9ClN2O/c9-7-4-2-1-3-6(7)5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: WSKCRBSHOIAZBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)acetohydrazide
• IUPAC Traditional name: 2-(2-chlorophenyl)acetohydrazide
• Synonyms: 2-(2-Chlorophenyl)acetohydrazide

Database IDs

• CAS Number: 22631-60-3
• MDL Number: MFCD00176721
• PubChem SID: 160990602
• PubChem CID: 2732959

CALCULATED PROPERTIES

• Acid pKa: 11.707491
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1098454
• LogD (pH = 7.4): 1.1115487
• Log P: 1.1116204
• Molar Refractivity: 48.4767 cm^3
• Polarizability: 18.52826 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C; 157 - 159 °C
• Hydrophobicity(logP): 0.857

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%