4-Fluorophenylacetonitrile, CAS No. 459-22-3

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459-22-3

Catalog No. EBD27767

CAS 459-22-3

Name 4-Fluorophenylacetonitrile

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Basic Information

Synonyms: 4-Fluorophenylaceticacidnitrile p-Fluorophenylacetonitrile Para-Fluorobenzylcyanide 4-Fluorophenylacetonitrile

Molecular Formula: C8H6FN

Molecular Weight: 135.14

MDL Number: MFCD00001917

Categories: Synthetic Chemistry > Organic Building Blocks > Cyano Compounds Medicinal Chemistry > Pharmaceutical Intermediates > Heterocyclic Intermediates

Product Description:

4-Fluorophenylacetonitrile is an organic compound featuring a phenyl ring substituted with a fluorine atom at the para position and an acetonitrile (-CH2CN) group. It is a colorless to pale yellow liquid with a molecular formula of C8H6FN. This compound serves as a versatile and crucial synthetic building block in organic chemistry. Its primary application lies in pharmaceutical synthesis, where it is used as a key intermediate for constructing various bioactive molecules. The nitrile group can be readily transformed into carboxylic acids, amides, amines, or tetrazoles, while the fluorophenyl moiety is a common pharmacophore. It is notably employed in the synthesis of fluorinated heterocyclic compounds, non-steroidal anti-inflammatory drugs (NSAIDs), and other active pharmaceutical ingredients (APIs). As a bifunctional reagent, it is also valuable in materials science for the preparation of liquid crystals and advanced organic materials. Handling requires caution as it is toxic if swallowed, in contact with skin, or if inhaled, and it may cause skin and eye irritation.

Physical Properties

Boiling Point: 119-120 °C/18 mmHg(lit.)

Flash Point: 108 °C

Density: 1.126 g/mL at 25 °C(lit.)

Solubility: insoluble in water

Refractivity: n20/D 1.5002(lit.)

Safety Information

Packing Level: III

Hazard Category: 6.1

Transport Codes: 3276

Analytical Data

Appearance: Clear, light yellow liquid