4-methoxybenzamide

• ChemBase ID: 82721
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: O=C(c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
• InChIKey: GUCPYIYFQVTFSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxybenzamide
• IUPAC Traditional name: P-methyoxybenzamide
• Synonyms: p-Anisamide; 4-Methoxybenzamide; 4-methoxybenzamide; 对茴香酰胺; 4-甲氧基苯甲酰胺

Database IDs

• CAS Number: 3424-93-9
• EC Number: 222-319-6
• MDL Number: MFCD00007995
• Beilstein Number: 1862847
• PubChem SID: 162069840; 24896468
• PubChem CID: 76959

CALCULATED PROPERTIES

• Acid pKa: 14.626149
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.666214
• LogD (pH = 7.4): 0.6662149
• Log P: 0.6662148
• Molar Refractivity: 41.5996 cm^3
• Polarizability: 15.684683 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-167 °C(lit.); 164-167°C
• Boiling Point: 295°C

Safety Information

• RTECS: CU5466666; CV5466666
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%
• Linear Formula: CH3OC6H4CONH2

DETAILS

Sigma Aldrich - M10069

Packaging
5, 25 g in glass bottle