(2E)-2-hydrazinylidene-1,2-diphenylethan-1-one

• ChemBase ID: 123405
• Molecular Formular: C14H12N2O
• Molecular Mass: 224.25788
• Monoisotopic Mass: 224.09496301
• SMILES: C(=N\N)(/C(=O)c1ccccc1)\c1ccccc1
• Canonical SMILES: N/N=C(/C(=O)c1ccccc1)\c1ccccc1
• InChI: InChI=1S/C14H12N2O/c15-16-13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10H,15H2/b16-13+
• InChIKey: CDQPGWNBSOSEMZ-DTQAZKPQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-2-hydrazinylidene-1,2-diphenylethan-1-one; 2-hydrazinylidene-1,2-diphenylethan-1-one
• IUPAC Traditional name: (2E)-2-hydrazinylidene-1,2-diphenylethanone; 2-hydrazinylidene-1,2-diphenylethanone
• Synonyms: (E)-2-hydrazono-1,2-diphenylethanone; Benzil monohydrazone; 苯偶酰一腙

Database IDs

• CAS Number: 5344-88-7
• EC Number: 226-292-1
• MDL Number: MFCD00007625
• PubChem SID: 24891816; 162217758
• PubChem CID: 5538956

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.960862
• LogD (pH = 7.4): 2.9609118
• Log P: 2.9609125
• Molar Refractivity: 68.614 cm^3
• Polarizability: 25.809671 Å^3
• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-152 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: C6H5C(=NNH2)COC6H5

DETAILS

Sigma Aldrich - B5224

Application
Precursor to diphenylketene by treatment with mercuric oxide.