(3-methylphenyl)hydrazine

• ChemBase ID: 302262
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: Cc1cccc(c1)NN
• Canonical SMILES: NNc1cccc(c1)C
• InChI: InChI=1S/C7H10N2/c1-6-3-2-4-7(5-6)9-8/h2-5,9H,8H2,1H3
• InChIKey: GPTOGZLZMLJZCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylphenyl)hydrazine
• IUPAC Traditional name: (3-methylphenyl)hydrazine
• Synonyms: 3-Methylphenylhydrazine; m-Tolylhydrazine; 间甲苯肼

Database IDs

• CAS Number: 536-89-0
• EC Number: 208-650-9
• MDL Number: MFCD00047815
• Beilstein Number: 742264
• Merck Index: 149542

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6303076
• LogD (pH = 7.4): 1.8741173
• Log P: 1.8783098
• Molar Refractivity: 40.8059 cm^3
• Polarizability: 14.672173 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 132-134°C/16mm
• Density: 1.057
• Refractive Index: 1.5890

Safety Information

• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%