2-hydroxy-2-phenylacetohydrazide

• ChemBase ID: 7767
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(C(c1ccccc1)O)NN
• Canonical SMILES: NNC(=O)C(c1ccccc1)O
• InChI: InChI=1S/C8H10N2O2/c9-10-8(12)7(11)6-4-2-1-3-5-6/h1-5,7,11H,9H2,(H,10,12)
• InChIKey: FWTGUGVETHVGTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-phenylacetohydrazide
• IUPAC Traditional name: 2-hydroxy-2-phenylacetohydrazide
• Synonyms: Mandelic acid hydrazide; Mandelic acid hydrazide; MANDELHYDRAZINE; 2-Hydroxy-2-phenylacetohydrazide; 扁桃酸酰肼

Database IDs

• CAS Number: 2443-66-5
• EC Number: 000-000-0
• MDL Number: MFCD00038133
• Beilstein Number: 2096197
• PubChem SID: 160971074
• PubChem CID: 73126

CALCULATED PROPERTIES

• Acid pKa: 12.034566
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.20835404
• LogD (pH = 7.4): -0.20760188
• Log P: -0.20758267
• Molar Refractivity: 45.0101 cm^3
• Polarizability: 17.268787 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-131°C; 134-136°C

Safety Information

• RTECS: OO7450000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: true; 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: 97%

DETAILS

MP Biomedicals - 05214196

MP Biomedicals Rare Chemical collection