2,4-dichloro-N'-(2-chloroacetyl)benzohydrazide

• ChemBase ID: 43734
• Molecular Formular: C9H7Cl3N2O2
• Molecular Mass: 281.52308
• Monoisotopic Mass: 279.95731051
• SMILES: c1(C(=O)NNC(=O)CCl)c(cc(cc1)Cl)Cl
• Canonical SMILES: ClCC(=O)NNC(=O)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C9H7Cl3N2O2/c10-4-8(15)13-14-9(16)6-2-1-5(11)3-7(6)12/h1-3H,4H2,(H,13,15)(H,14,16)
• InChIKey: GYTBHWHVEUKKPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-N'-(2-chloroacetyl)benzohydrazide
• IUPAC Traditional name: 2,4-dichloro-N'-(2-chloroacetyl)benzohydrazide
• Synonyms: 2,4-Dichloro-N'-(2-chloroacetyl)-benzenecarbohydrazide; 2,4-Dichloro-N'-(2-chloroacetyl)benzenecarbohydrazide

Database IDs

• MDL Number: MFCD02580953
• PubChem SID: 162048497
• PubChem CID: 15256018

CALCULATED PROPERTIES

• Acid pKa: 6.1789584
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9075392
• LogD (pH = 7.4): 1.1954446
• Log P: 1.97987
• Molar Refractivity: 62.3651 cm^3
• Polarizability: 23.897959 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206 °C; 204-206°C

Safety Information

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

Product Information

• Purity: >95%