N-(2-fluorophenyl)acetamide

• ChemBase ID: 7750
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: c1ccc(c(c1)NC(=O)C)F
• Canonical SMILES: CC(=O)Nc1ccccc1F
• InChI: InChI=1S/C8H8FNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
• InChIKey: AUZPZBPZWHEIDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)acetamide
• IUPAC Traditional name: 2-fluoroacetanilide
• Synonyms: 2'-Fluoroacetanilide; N-(2-Fluorophenyl)acetamide; N-(2-Fluorophenyl)acetamide; 2'-Fluoroacetanilide 98%; 2'-Fluoroacetanilide; o-FLUOROACETANILIDE; 2′-Fluoroacetanilide; 2'-氟乙酰苯胺; 2-氟乙酰苯胺

Database IDs

• CAS Number: 399-31-5; 330-68-7
• EC Number: 206-916-9
• MDL Number: MFCD00000315
• Beilstein Number: 2717443
• PubChem SID: 24858058; 160971057
• PubChem CID: 67860

CALCULATED PROPERTIES

• Acid pKa: 12.074844
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.353658
• LogD (pH = 7.4): 1.3536494
• Log P: 1.3536581
• Molar Refractivity: 41.1374 cm^3
• Polarizability: 14.897338 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76-78°C; 76-80°C; 77-79 °C(lit.)
• Boiling Point: 140-142 °C/14 mmHg(lit.); 140-142°C/14mm; 140-142°C/14mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: AE2975000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; 98+%
• Linear Formula: CH3CONHC6H4F

DETAILS

MP Biomedicals - 05213893

MP Biomedicals Rare Chemical collection