N-phenylformamide

• ChemBase ID: 108053
• Molecular Formular: C7H7NO
• Molecular Mass: 121.13658
• Monoisotopic Mass: 121.05276385
• SMILES: O=CNc1ccccc1
• Canonical SMILES: O=CNc1ccccc1
• InChI: InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
• InChIKey: DYDNPESBYVVLBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylformamide
• IUPAC Traditional name: formanilide
• Synonyms: N-Phenylformamide; Formanilide; FORMANILIDE; N-Phenylformamide; N-苯基甲酰胺; 甲酰苯胺

Database IDs

• CAS Number: 103-70-8
• EC Number: 203-136-0
• MDL Number: MFCD00003276
• Beilstein Number: 906934
• Merck Index: 144238
• PubChem SID: 162093563; 24871333; 24848101
• PubChem CID: 7671

CALCULATED PROPERTIES

• Acid pKa: 15.242197
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1622574
• LogD (pH = 7.4): 1.1622574
• Log P: 1.1622574
• Molar Refractivity: 36.4305 cm^3
• Polarizability: 13.363731 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-49°C; 46°C; 46-48 °C; 46-48 °C(lit.)
• Boiling Point: 166 °C/14 mmHg(lit.); 240°C; 271°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.1 g/ml; 1.140; 1.144 g/mL at 25 °C(lit.)

Safety Information

• RTECS: BY1780000
• European Hazard Symbols: X
• German water hazard class: 2
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P280F
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (GC); 95+%; 98%; 99%
• Grade: purum
• Linear Formula: C6H5NHCHO

DETAILS

MP Biomedicals - 05205895

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 133329

Packaging
100 g in glass bottle