CAS 4640-67-9: 4-Fluoro-β-oxobenzenepropanenitrile

Description: 4-Fluoro-β-oxobenzenepropanenitrile, with the CAS number 4640-67-9, is an organic compound characterized by its unique functional groups, including a nitrile and a ketone, along with a fluorine substituent on the aromatic ring. This compound typically exhibits a solid state at room temperature and is soluble in organic solvents, reflecting its non-polar characteristics due to the presence of the aromatic ring. The fluorine atom can influence the compound's reactivity and polarity, potentially enhancing its lipophilicity. In terms of applications, compounds like 4-Fluoro-β-oxobenzenepropanenitrile may serve as intermediates in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Its reactivity can be attributed to the presence of the nitrile group, which can participate in various chemical reactions, including nucleophilic additions and cycloadditions. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled. Overall, this compound exemplifies the complexity and utility of fluorinated organic molecules in chemical research and industry.

Formula: C₉H₆FNO

InChI: InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2

InChI key: InChIKey=LOJBBLDAJBJVBZ-UHFFFAOYSA-N

SMILES: N#CCC(=O)C1=CC=C(F)C=C1

Synonyms:

• 3-(4-Fluorophenyl)-3-oxopropanenitrile
• 3-(4-Fluorophenyl)-3-oxopropionitrile
• 3-Oxo-3-(4-fluorophenyl)propanenitrile
• 4-Fluoro-β-oxobenzenepropanenitrile
• Acetonitrile, (p-fluorobenzoyl)-
• Benzenepropanenitrile, 4-fluoro-β-oxo-
• p-Fluorobenzoylacetonitrile
• α-Cyano-4-fluoroacetophenone
• 4-Fluorobenzoylacetonitrile

3-(4-Fluorophenyl)-3-oxopropanenitrile

CAS: 4640-67-9

• Formula: C₉H₆FNO
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 163.1484

4-Fluorobenzoylacetonitrile

CAS: 4640-67-9

• Formula: C₉H₆FNO
• Purity: >98.0%(GC)
• Color and Shape: White to Light yellow powder to crystal
• Molecular weight: 163.15

4-Fluorobenzoylacetonitrile

CAS: 4640-67-9

• Formula: C₉H₆FNO
• Purity: By gc: 99.31% (Typical Value in Batch COA)
• Color and Shape: off-white solid
• Molecular weight: 163.15g/mol

Blonanserin Impurity 36

CAS: 4640-67-9

• Formula: C₉H₆FNO
• Molecular weight: 163.15

4-Fluorobenzoylacetonitrile

CAS: 4640-67-9

• Purity: 96.0%
• Color and Shape: Solid
• Molecular weight: 163.1510009765625

4-Fluorobenzoylacetonitrile

CAS: 4640-67-9

Applications 4-Fluorobenzoylacetonitrile is used as a reagent in the synthesis of Blonanserin (B595850); a 5-HT2 …

• Formula: C₉H₆FNO
• Color and Shape: Neat
• Molecular weight: 163.15

4-Fluorobenzoylacetonitrile

CAS: 4640-67-9

4-Fluorobenzoylacetonitrile is an organic compound that has been shown to bind to the receptor site …

• Formula: C₉H₆FNO
• Purity: Min. 95%
• Molecular weight: 163.15 g/mol