4-phenylbenzohydrazide

• ChemBase ID: 52534
• Molecular Formular: C13H12N2O
• Molecular Mass: 212.24718
• Monoisotopic Mass: 212.09496301
• SMILES: C(=O)(c1ccc(cc1)c1ccccc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C13H12N2O/c14-15-13(16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
• InChIKey: QEUAQXSDDNDOTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylbenzohydrazide
• IUPAC Traditional name: 4-phenylbenzohydrazide
• Synonyms: 4-Phenylbenzhydrazide; 4-Phenylbenzhydrazide; 4-Biphenylcarboxylic acid hydrazide; 4-苯基-苯甲酰肼

Database IDs

• CAS Number: 18622-23-6
• EC Number: 242-451-8
• MDL Number: MFCD00017078
• Beilstein Number: 1106894
• PubChem SID: 162057297
• PubChem CID: 72718

CALCULATED PROPERTIES

• Acid pKa: 14.359243
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1737444
• LogD (pH = 7.4): 2.1746244
• Log P: 2.174636
• Molar Refractivity: 64.7567 cm^3
• Polarizability: 25.58594 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189°C; 192-196°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%