2-phenylacetohydrazide

• ChemBase ID: 21485
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)(NN)Cc1ccccc1
• Canonical SMILES: NNC(=O)Cc1ccccc1
• InChI: InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
• InChIKey: FPTCVTJCJMVIDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylacetohydrazide
• IUPAC Traditional name: 2-phenylacetohydrazide
• Synonyms: PHENYLACETHYDRAZIDE; 2-Phenylacetohydrazide; Phenylacetic hydrazide; 苯乙酸肼

Database IDs

• CAS Number: 937-39-3
• EC Number: 213-328-6
• MDL Number: MFCD00007612
• PubChem SID: 24898235; 160984792
• PubChem CID: 70301

CALCULATED PROPERTIES

• Acid pKa: 13.006915
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5058027
• LogD (pH = 7.4): 0.50755244
• Log P: 0.5075758
• Molar Refractivity: 43.6719 cm^3
• Polarizability: 16.641783 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-116 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: false
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310

Product Information

• Purity: 95+%; 97%; 98%
• Linear Formula: C6H5CH2CONHNH2

DETAILS

MP Biomedicals - 05221362

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P16656

Packaging
25, 100 g in poly bottle