N'-benzoylbenzohydrazide

• ChemBase ID: 106874
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: O=C(NNC(=O)c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)NNC(=O)c1ccccc1
• InChI: InChI=1S/C14H12N2O2/c17-13(11-7-3-1-4-8-11)15-16-14(18)12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
• InChIKey: GRRIYLZJLGTQJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-benzoylbenzohydrazide
• IUPAC Traditional name: dibenzoylhydrazine
• Synonyms: DIBENZOYLHYDRAZINE; N,N'-Dibenzoylhydrazine; 1,2-Dibenzoylhydrazine; N,N'-联苯甲酰肼; 二苯甲酰肼

Database IDs

• CAS Number: 787-84-8
• EC Number: 212-329-9
• MDL Number: MFCD00003068
• PubChem SID: 162093185
• PubChem CID: 13085

CALCULATED PROPERTIES

• Acid pKa: 13.5920925
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0886111
• LogD (pH = 7.4): 2.088611
• Log P: 2.0886111
• Molar Refractivity: 68.6728 cm^3
• Polarizability: 25.583538 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238-240 °C(lit.); 238-240°C

Safety Information

• RTECS: MV2085000
• German water hazard class: 3
• TSCA Listed: 是

Product Information

• Purity: 97%; 98+%
• Linear Formula: C6H5CONHNHCOC6H5

DETAILS

MP Biomedicals - 05201717

MP Biomedicals Rare Chemical collection