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CAS 2469-99-0

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3-Oxobutanenitrile

Description:
3-Oxobutanenitrile, also known as 3-cyanobutan-2-one, is an organic compound characterized by its functional groups, including a ketone and a nitrile. It features a four-carbon chain with a carbonyl group (C=O) at the second position and a cyano group (C≡N) at the third position. This compound is typically a colorless to pale yellow liquid with a distinctive odor. It is soluble in polar solvents such as water and alcohols, owing to the presence of the polar nitrile and carbonyl groups. 3-Oxobutanenitrile is used in organic synthesis, particularly in the production of various pharmaceuticals and agrochemicals, due to its reactivity and ability to participate in nucleophilic addition reactions. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. As with many organic compounds, proper handling and safety precautions are essential, as it may pose health risks if inhaled or ingested.
Formula:C4H5NO
InChI:InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3
InChI key:InChIKey=OPXYNEYEDHAXOM-UHFFFAOYSA-N
SMILES:C(C(C)=O)C#N
Synonyms:
  • 1-(2,4-Dimethyl-5-{[4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzyl)-1,1-dimethylhydrazinium chloride
  • 3-Oxobutanenitrile
  • Acetoacetonitrile
  • Acetylacetonitrile
  • Butanenitrile, 3-oxo-
  • Cyanoacetone
  • Diazanium, 1-[[5-[[9,10-Dihydro-4-(Methylamino)-9,10-Dioxo-1-Anthracenyl]Amino]-2,4-Dimethylphenyl]Methyl]-1,1-Dimethyl-, Chloride (1:1)
  • α-Cyanoacetone
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Found 5 products.
  • 3-Oxobutanenitrile, 96%

    CAS:
    <p>It is used as pharmaceutical raw material and intermediate. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has</p>
    Formula:C4H5NO
    Purity:96%
    Color and Shape:Colorless to pale yellow, Liquid
    Molecular weight:83.09

    Ref: 02-H64536

    1g
    178.00€
    250mg
    To inquire
  • 3-Oxobutanenitrile

    CAS:
    Formula:C4H5NO
    Purity:95.0%
    Molecular weight:83.09

    Ref: 10-F338453

    1g
    29.00€
    5g
    43.00€
    10g
    76.00€
  • 3-Oxobutanenitrile

    CAS:
    <p>3-Oxobutanenitrile</p>
    Formula:C4H5NO
    Purity:95%
    Color and Shape: brown liquid
    Molecular weight:83.09g/mol

    Ref: 54-OR906555

    25g
    To inquire
    100g
    To inquire
  • 3-​Oxobutanenitrile

    Controlled Product
    CAS:
    Formula:C4H5NO
    Color and Shape:Neat
    Molecular weight:83.089

    Ref: TR-O869928

    10g
    1,022.00€
  • Butanenitrile, 3-oxo-

    CAS:
    Formula:C4H5NO
    Purity:95%
    Color and Shape:Liquid
    Molecular weight:83.0886

    Ref: IN-DA002P28

    ne
    Discontinued
    Discontinued product