2-Fluoro-3-oxopropanoic Acid

Base Information

• Chemical Name: 2-Fluoro-3-oxopropanoic Acid
• CAS No.: 58629-87-1
• Molecular Formula: C3H3FO3
• Molecular Weight: 106.05300
• DSSTox Substance ID: DTXSID20555103
• Mol file: 58629-87-1.mol

Synonyms:2-Fluoro-3-oxopropanoic Acid;58629-87-1;Fluoromalonaldehydic Acid;2-Fluoro-3-oxopropanoicAcid;DTXSID20555103;Fluoromalonaldehydic Acid (>85%);AKOS030255433

Chemical Property of 2-Fluoro-3-oxopropanoic Acid

Chemical Property:

• Melting Point: >52°C (subl.)
• PSA: 54.37000
• LogP: -0.39200
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Solubility.: Aqueous Acid (Sparingly), Methanol (Very Slightly, Heated)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 106.00662212
• Heavy Atom Count: 7
• Complexity: 90.2

Purity/Quality:

99% ^*data from raw suppliers

FluoromalonaldehydicAcidDiscontinued ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(=O)C(C(=O)O)F
• Uses: A degradation product of 2,2'-Anhydro-1-β-D-arabinofuranosyl-5-fluorocytosine and 1-β-D-Arabinofuranosyl-5-fluorocytosine in rats. Fluoromalonaldehydic acid would be oxidized in vivo to fluoromalonic acid and utimately to fluoroacetate, compounds known to inhibit the Krebs cycle. A degradation product of 2,2''-Anhydro-1-β-D-arabinofuranosyl-5-fluorocytosine and 1-β-D-Arabinofuranosyl-5-fluorocytosine in rats. Fluoromalonaldehydic acid would be oxidized in vivo to fluoromalonic acid and utimately to fluoroacetate, compounds known to inhibit the Krebs cycle.