4-methylbenzohydrazide

• ChemBase ID: 52550
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(ccc(cc1)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)C
• InChI: InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
• InChIKey: MFFVZXOPRXMVET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylbenzohydrazide
• IUPAC Traditional name: benzoylhydrazine, P-methyl
• Synonyms: p-Toluic acid hydrazide; 4-TOLUIC HYDRAZIDE; p-Toluic hydrazide; 4-Methylbenzhydrazide; 对甲苯肼; 对甲苯甲酰肼

Database IDs

• CAS Number: 3619-22-5
• EC Number: 222-815-2
• MDL Number: MFCD00007607
• Beilstein Number: 607602
• PubChem SID: 24900162; 162057313
• PubChem CID: 77174

CALCULATED PROPERTIES

• Acid pKa: 14.685152
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0398929
• LogD (pH = 7.4): 1.04082
• Log P: 1.0408318
• Molar Refractivity: 44.6617 cm^3
• Polarizability: 16.347212 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-118°C; 116-118 °C(lit.); 116-118°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%; 99%
• Linear Formula: CH3C6H4CONHNH2

DETAILS

MP Biomedicals - 05218774

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T37001

Packaging
25 g in glass bottle