2-fluoroacetamide

• ChemBase ID: 110134
• Molecular Formular: C2H4FNO
• Molecular Mass: 77.0576632
• Monoisotopic Mass: 77.02769197
• SMILES: NC(=O)CF
• Canonical SMILES: NC(=O)CF
• InChI: InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
• InChIKey: FVTWJXMFYOXOKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroacetamide
• IUPAC Traditional name: fluoroacetamide
• Synonyms: FLUOROACETAMIDE; NSC 31876; Fluoroacetamide; 2-fluoroacetamide; 氟乙酰胺

Database IDs

• CAS Number: 640-19-7
• EC Number: 211-363-1
• MDL Number: MFCD00008026
• Beilstein Number: 1739054
• PubChem SID: 24847848; 24870114; 162095573
• PubChem CID: 12542
• CHEBI ID: 53124
• CHEMBL: 160811
• Chemspider ID: 12025
• KEGG ID: C18675
• Wikipedia Title: Fluoroacetamide

CALCULATED PROPERTIES

• Acid pKa: 12.945622
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.95644456
• LogD (pH = 7.4): -0.9564435
• Log P: -0.9564446
• Molar Refractivity: 14.476 cm^3
• Polarizability: 5.56622 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Melting Point: 106-108 °C; 106-108 °C(lit.); 107 - 109°C; 107 - 109°C
• Hydrophobicity(logP): -0.941

Safety Information

• RTECS: AC1225000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 2811
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 24-28; R:24-28
• Safety Statements: 36/37-45; S:45-36/37
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311
• GHS Precautionary statements: P264-P280-P301 + P310-P312
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: ≥98.0% (GC); 95%
• Grade: purum
• Linear Formula: FCH2CONH2

DETAILS

Sigma Aldrich - 128341

Packaging
5 g in glass bottle
Application
Reactant involved in:
• C-N coupling to amides and nitrogen-containing heterocycles1
• Substitution in aryl triflates2Used in mass databases for screening of pesticide residues via fast liquid chromatography TOF mass spectrometry3

Sigma Aldrich - 46390

Application
Reactant involved in:
• C-N coupling to amides and nitrogen-containing heterocycles1
• Substitution in aryl triflates2Used in mass databases for screening of pesticide residues via fast liquid chromatography TOF mass spectrometry3