Description

4-Fluorocinnamonitrile (CAS: 24654-48-6) is a high-purity organic compound with the molecular formula C₉H₆FN, widely utilized in pharmaceutical and chemical research. This fluorinated acrylonitrile derivative features a trans-configuration (E-isomer) with a 4-fluorophenyl group attached to a cyano-substituted ethene moiety, making it a versatile building block for synthesizing bioactive molecules, agrochemicals, and advanced materials. Its high reactivity as an electrophile enables applications in cross-coupling reactions, Michael additions, and cyclizations. Available in ≥98% purity (HPLC/GC), it is supplied in amber vials under inert gas to ensure stability. Suitable for use in medicinal chemistry, material science, and as a precursor for fluorinated heterocycles. Store at 2-8°C in a dry environment.

Properties

• CAS Number: 24654-48-6
• Complexity: 181
• IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enenitrile
• InChI: InChI=1S/C9H6FN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H/b2-1+
• InChI Key: WVWTVBZOOBKCKI-OWOJBTEDSA-N
• Exact Mass: 147.048427358
• Molecular Formula: C9H6FN
• Molecular Weight: 147.15
• SMILES: C1=CC(=CC=C1/C=C/C#N)F
• Topological: 23.8
• Monoisotopic Mass: 147.048427358
• Synonyms: 4-Fluorocinnamonitrile, 24654-48-6, (E)-3-(4-fluorophenyl)acrylonitrile, 3-(4-Fluorophenyl)acrylonitrile, 27530-50-3, 2-Propenenitrile, 3-(4-fluorophenyl)-, (E)-3-(4-fluorophenyl)prop-2-enenitrile, 3-(4-fluorophenyl)prop-2-enenitrile, 2-Propenenitrile, 3-(4-fluorophenyl)-, (2E)-, NSC636941, 3-(4-fluorophenyl)-2-propenenitrile, MFCD03093768, 2-Propenenitrile,3-(4-fluorophenyl)-, SCHEMBL2986380, E-3-(4-fluorophenyl)acrylonitrile, SBB086529, AKOS008967905, AS-63422, (2E)-3-(4-fluorophenyl)prop-2-enenitrile, (2E)-3-(4-Fluorophenyl)-2-propenenitrile #, A12335, Benzene, 1-fluoro-4-(2-cyanoethenyl)-, (E)-

4-Fluorocinnamonitrile serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly kinase inhibitors and CNS-active compounds. It is employed in Heck coupling reactions to construct styrene derivatives for OLED materials. Researchers also use it to develop fluorinated liquid crystals and agrochemicals due to its electron-withdrawing properties. Its cyano group facilitates nucleophilic additions for heterocycle formation.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.