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2-Fluorophenylacetic acid ; CAS No. : 451-82-1

Short Description:

Chemical Name:2-Fluorophenylacetic acid
CAS No.:451-82-1
Molecular Formula:C8H7FO2
Molecular Weight:154.141
Hs Code.:29163990
European Community (EC) Number:207-196-9
NSC Number:401
UNII:X2W3C5ER3N
DSSTox Substance ID:DTXSID1060007
Nikkaji Number:J196.148I
Wikidata:Q72475635


  • Chemical Name: 2-Fluorophenylacetic acid
  • CAS No.: 451-82-1
  • Molecular Formula: C8H7FO2
  • Molecular Weight: 154.141
  • Hs Code.: 29163990
  • European Community (EC) Number: 207-196-9
  • NSC Number: 401
  • UNII: X2W3C5ER3N
  • DSSTox Substance ID: DTXSID1060007
  • Nikkaji Number: J196.148I
  • Wikidata: Q72475635
  • Mol file: 451-82-1.mol
  • Product Detail

    Product Tags

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    Synonyms:Aceticacid, (o-fluorophenyl)- (7CI,8CI);(2-Fluorophenyl)acetic acid;(o-Fluorophenyl)acetic acid;NSC 401;

    Chemical Property of 2-Fluorophenylacetic acid

    ● Appearance/Colour:white to off-white shiny crystals or crystalline
    ● Vapor Pressure:0.00656mmHg at 25°C
    ● Melting Point:60-62 °C(lit.)
    ● Boiling Point:259.6 °C at 760 mmHg
    ● PKA:4.01±0.10(Predicted)
    ● Flash Point:110.8 °C
    ● PSA:37.30000
    ● Density:1.272 g/cm3
    ● LogP:1.45280

    ● Storage Temp.:Sealed in dry,Room Temperature
    ● Solubility.:Chloroform (Sparingly), Methanol (Slightly)
    ● XLogP3:1.5
    ● Hydrogen Bond Donor Count:1
    ● Hydrogen Bond Acceptor Count:3
    ● Rotatable Bond Count:2
    ● Exact Mass:154.04300762
    ● Heavy Atom Count:11
    ● Complexity:147

    Purity/Quality

    99% *data from raw suppliers

    2-FluorobenzeneaceticAcid *data from reagent suppliers

    Safty Information

    ● Pictogram(s):product (2)Xi
    ● Hazard Codes:Xi
    ● Statements:38-36/37/38
    ● Safety Statements:22-24/25-36/37/39-27-26

    Useful

    ● Canonical SMILES:C1=CC=C(C(=C1)CC(=O)O)F
    ● Uses2-Fluorophenylacetic acid was used: in the synthesis of thiazolino[3,2-c]pyrimidin-5,7-diones and N-[2-(3,4-dichlorophenyl)-ethyl]-N′-[2-(2-fluorophenyl)-ethyl]-ethane-1,2-diamineas chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by 19F NMR spectroscopy
    ● 2-Fluorophenylacetic acid is a chemical compound with the molecular formula C8H7FO2. It is a derivative of phenylacetic acid where one hydrogen atom in the phenyl ring has been replaced by a fluorine atom.2-Fluorophenylacetic acid is commonly used as an intermediate in the synthesis of various pharmaceuticals and other organic compounds. It can be utilized in the production of anti-inflammatory drugs, such as ibuprofen and naproxen. Additionally, it can be employed in the synthesis of herbicides and insecticides.As with any chemical compound, it is important to handle 2-fluorophenylacetic acid with caution and follow proper safety measures. It is advised to consult the material safety data sheet (MSDS) for detailed information on handling, storage, and disposal of this compound.


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