CAS 21667-61-8

3-Fluorobenzoylacetonitrile

Description:

3-Fluorobenzoylacetonitrile, with the CAS number 21667-61-8, is an organic compound characterized by the presence of both a fluorobenzoyl group and a nitrile functional group. It features a benzene ring substituted with a fluorine atom at the meta position relative to the carbonyl group, which is linked to an acetonitrile moiety. This compound typically appears as a solid or liquid, depending on its purity and specific conditions. It is known for its potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to the reactivity of the nitrile group and the electron-withdrawing nature of the fluorine atom, which can influence the compound's chemical behavior. The presence of the fluorine atom can enhance lipophilicity and bioactivity, making it a valuable building block in medicinal chemistry. Additionally, 3-fluorobenzoylacetonitrile may exhibit specific spectral characteristics, such as distinct peaks in infrared and nuclear magnetic resonance spectroscopy, aiding in its identification and characterization.

Formula: C₉H₆FNO

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

SMILES: c1cc(cc(c1)F)C(=O)CC#N

Synonyms:

• 3-(3-Fluorophenyl)-3-oxopropanenitrile

3-(3-Fluorophenyl)-3-oxopropanenitrile

CAS: 21667-61-8

Formula: C₉H₆FNO

Purity: 97%

Color and Shape: Solid

Molecular weight: 163.1484

Ref: IN-DA007PGT

3-Fluorobenzoylacetonitrile

CAS: 21667-61-8

3-Fluorobenzoylacetonitrile

Formula: C₉H₆FNO

Purity: 99%

Color and Shape: light brown solid

Molecular weight: 163.15g/mol

Ref: 54-PC9056

3-Fluorobenzoylacetonitrile (>80%)

Controlled Product

CAS: 21667-61-8

Formula: C₉H₆FNO

Purity: >80%

Color and Shape: Light Brown

Molecular weight: 163.148

Ref: TR-F598095

3-Fluorobenzoylacetonitrile

CAS: 21667-61-8

Formula: C₉H₆FNO

Purity: 97%

Color and Shape: Solid

Molecular weight: 163.151

Ref: 10-F022382