N-(3-fluorophenyl)acetamide

• ChemBase ID: 7749
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: C(=O)(Nc1cccc(c1)F)C
• Canonical SMILES: CC(=O)Nc1cccc(c1)F
• InChI: InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
• InChIKey: AQLLDCFUQXGLHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)acetamide
• IUPAC Traditional name: 3-fluoroacetanilide
• Synonyms: 3′-Fluoroacetanilide; M-FLUOROACETANILIDE; N-(3-Fluorophenyl)Acetamide; 3'-Fluoroacetanilide; N-(3-Fluorophenyl)acetamide; N-Acetyl-3-fluoroaniline; 3'-Fluoroacetanilide 98%; 3'-Fluoroacetanilide; 3-氟乙酰苯胺

Database IDs

• CAS Number: 351-28-0
• EC Number: 206-509-6
• MDL Number: MFCD00017917
• Beilstein Number: 2803073
• PubChem SID: 160971056; 24862361
• PubChem CID: 9594

CALCULATED PROPERTIES

• Acid pKa: 13.802478
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3536581
• LogD (pH = 7.4): 1.353658
• Log P: 1.3536581
• Molar Refractivity: 41.1374 cm^3
• Polarizability: 14.896766 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-84 °C(lit.); 82-84°C; 86-89°C; 88°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• 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%
• Linear Formula: CH3CONHC6H4F

DETAILS

MP Biomedicals - 05201900

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 363782

Packaging
25 g in glass bottle