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

InChI key: InChIKey=LOJBBLDAJBJVBZ-UHFFFAOYSA-N

SMILES: C(CC#N)(=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-Oxo-3-(4-fluorophenyl)propionitrile, 4-Fluoro-μ-oxobenzenepropanenitrile, 4-Fluorophenacyl cyanide
• BUTTPARK 34\07-91
• 4-FLUOROBENZOYLACETONITRILE 96%
• ART-CHEM-BB B020924
• 4-Fluorobenzoylacetonitrile ,98.0%
• AKOS B020924

3-(4-Fluorophenyl)-3-oxopropanenitrile

CAS: 4640-67-9

Formula: C₉H₆FNO

Purity: 95%

Color and Shape: Solid

Molecular weight: 163.1484

Ref: IN-DA003LF6

4-Fluorobenzoylacetonitrile

CAS: 4640-67-9

4-Fluorobenzoylacetonitrile

Formula: C₉H₆FNO

Purity: ≥95%

Color and Shape: off-white solid

Molecular weight: 163.15g/mol

Ref: 54-PC10409

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

Ref: 3B-F0987

Blonanserin Impurity 36

CAS: 4640-67-9

Formula: C₉H₆FNO

Molecular weight: 163.15

Ref: 4Z-B-5642

4-Fluorobenzoylacetonitrile

CAS: 4640-67-9

Formula: C₉H₆FNO

Purity: 95%

Color and Shape: Solid

Molecular weight: 163.151

Ref: 10-F022389

4-Fluorobenzoylacetonitrile

Controlled Product

CAS: 4640-67-9

Applications 4-Fluorobenzoylacetonitrile is used as a reagent in the synthesis of Blonanserin (B595850); a 5-HT2 serotonin receptor and D2 dopamine receptor antagonist, used as an antipsychotic. 4-Fluorobenzoylacetonitrile is also used in the preparation of pyrazolopyrimidines as potential antimicrobial and antioxidant agents.
References Oka, T., et al.: Life Sci., 76, 225 (2004), Singh, A., et al.: Int. Med. J., 12, 175 (2005); Ochi, T., et al.: Bioorg. Med. Chem., Lett., 15, 1055 (2005); El-Borai, M.A., et al.: J. Applicable Chem., 3, 1526 (2014)

Formula: C₉H₆FNO

Color and Shape: Neat

Molecular weight: 163.15

Ref: TR-F588305