2-(3,4-dichlorophenyl)acetohydrazide

• ChemBase ID: 27134
• Molecular Formular: C8H8Cl2N2O
• Molecular Mass: 219.06792
• Monoisotopic Mass: 218.00136825
• SMILES: c1(c(ccc(c1)CC(=O)NN)Cl)Cl
• Canonical SMILES: NNC(=O)Cc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C8H8Cl2N2O/c9-6-2-1-5(3-7(6)10)4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: BDVLLZFPIPICSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)acetohydrazide
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)acetohydrazide
• Synonyms: 2-(3,4-Dichlorophenyl)acetohydrazide; 2-(3,4-Dichlorophenyl)acetohydrazide; 3,4-Dichlorophenylacetic acid hydrazide

Database IDs

• CAS Number: 129564-33-6
• MDL Number: MFCD00833407
• PubChem SID: 160990441
• PubChem CID: 2736034

CALCULATED PROPERTIES

• Acid pKa: 11.008498
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.713888
• LogD (pH = 7.4): 1.715545
• Log P: 1.7156651
• Molar Refractivity: 53.2815 cm^3
• Polarizability: 20.479483 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131-133°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false