2-methoxybenzamide

• ChemBase ID: 52472
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: C(=O)(c1c(cccc1)OC)N
• Canonical SMILES: COc1ccccc1C(=O)N
• InChI: InChI=1S/C8H9NO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)
• InChIKey: MNWSGMTUGXNYHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxybenzamide
• IUPAC Traditional name: O-methoxybenzamide
• Synonyms: 2-Methoxybenzamide; o-Anisamide; 2-Methoxybenzamide; o-METHOXYBENZAMIDE; 2-甲氧基苯甲酰胺

Database IDs

• CAS Number: 2439-77-2
• EC Number: 219-465-8
• MDL Number: MFCD00017120
• Beilstein Number: 2439526
• PubChem SID: 162057235
• PubChem CID: 75540

CALCULATED PROPERTIES

• Acid pKa: 13.692314
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6662147
• LogD (pH = 7.4): 0.66621506
• Log P: 0.6662148
• Molar Refractivity: 41.5996 cm^3
• Polarizability: 15.6873255 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127-128°C; 127-130°C

Safety Information

• Storage Warning: IRRITANT
• RTECS: CV5460000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 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: 98+%

DETAILS

MP Biomedicals - 05208442

MP Biomedicals Rare Chemical collection