N-(4-fluorophenyl)acetamide

• ChemBase ID: 7748
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: C(=O)(Nc1ccc(cc1)F)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)F
• InChI: InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
• InChIKey: JHEFOJNPLXSWNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)acetamide
• IUPAC Traditional name: 4-fluoroacetanilide
• Synonyms: N-(4-fluorophenyl)acetamide; 4'-Fluoroacetanilide; N1-(4-fluorophenyl)acetamide; 4′-Fluoroacetanilide; N-(4-Fluorophenyl)acetamide; 4'-Fluoroacetanilide 98%; 4'-Fluoroacetanilide; p-FLUOROACETANILIDE; 4'-氟乙酰苯胺; 4-氟乙酰苯胺

Database IDs

• CAS Number: 351-83-7; 103-84-4
• EC Number: 206-515-9
• MDL Number: MFCD00016335
• Beilstein Number: 2208090
• PubChem SID: 160971055
• PubChem CID: 9601

CALCULATED PROPERTIES

• Acid pKa: 14.643753
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3536581
• LogD (pH = 7.4): 1.3536581
• Log P: 1.3536581
• Molar Refractivity: 41.1374 cm^3
• Polarizability: 14.896422 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C; 151-152°C; 151-153°C; 153-155 °C(lit.); 153-155°C
• Hydrophobicity(logP): 1.562

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: AE2977000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• 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: 95%; 97%; 98%
• Linear Formula: CH3CONHC6H4F

DETAILS

MP Biomedicals - 05207905

MP Biomedicals Rare Chemical collection