2-methanehydrazonoylphenol

• ChemBase ID: 295863
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: c1ccc(c(c1)/C=N/N)O
• Canonical SMILES: N/N=C/c1ccccc1O
• InChI: InChI=1S/C7H8N2O/c8-9-5-6-3-1-2-4-7(6)10/h1-5,10H,8H2
• InChIKey: MYUNWHTZYXUCIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methanehydrazonoylphenol
• IUPAC Traditional name: 2-methanehydrazonoylphenol
• Synonyms: 2-Hydroxybenzaldehyde hydrazone; Salicylaldehyde hydrazone; 水杨醛腙

Database IDs

• CAS Number: 3291-00-7
• EC Number: 221-953-0
• MDL Number: MFCD00007626
• PubChem SID: 180681394
• PubChem CID: 5484495

CALCULATED PROPERTIES

• Acid pKa: 8.773526
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.093668
• LogD (pH = 7.4): 1.0804279
• Log P: 1.0983686
• Molar Refractivity: 41.1641 cm^3
• Polarizability: 14.91469 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-98°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• 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%