2-hydroxy-3-methylbenzohydrazide

• ChemBase ID: 52455
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(c1c(c(ccc1)C)O)NN
• Canonical SMILES: Cc1cccc(c1O)C(=O)NN
• InChI: InChI=1S/C8H10N2O2/c1-5-3-2-4-6(7(5)11)8(12)10-9/h2-4,11H,9H2,1H3,(H,10,12)
• InChIKey: UWNTVIWGDXKENJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-3-methylbenzohydrazide
• IUPAC Traditional name: 2-hydroxy-3-methylbenzohydrazide
• Synonyms: 2-Hydroxy-3-methylbenzhydrazide; 3-Methylsalicylhydrazide; 2-Hydroxy-3-methylbenzhydrazide; 2-hydroxy-3-methylbenzohydrazide; 2-羟基-3-甲基亚苯基肼

Database IDs

• CAS Number: 30991-42-5
• EC Number: 000-000-0
• MDL Number: MFCD00017052
• Beilstein Number: 2639905
• PubChem SID: 162057218
• PubChem CID: 141603

CALCULATED PROPERTIES

• Acid pKa: 8.489828
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.3864293
• LogD (pH = 7.4): 1.3535501
• Log P: 1.3872665
• Molar Refractivity: 46.6426 cm^3
• Polarizability: 16.974726 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189-193°C; 190-191°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%