Description

4-Fluoro-2-methylbenzonitrile (CAS No. 147754-12-9) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₈H₆FN. This versatile intermediate is widely used in pharmaceutical, agrochemical, and material science research due to its unique structural properties. The compound features a fluorine substituent at the 4-position and a methyl group at the 2-position of the benzonitrile scaffold, offering excellent reactivity for further functionalization.

Our product is synthesized under strict quality control measures, ensuring ≥98% purity (HPLC/GC) with minimal impurities. It is supplied as a white to off-white crystalline solid, packaged under inert conditions to guarantee stability. Ideal for Suzuki couplings, nucleophilic substitutions, and other cross-coupling reactions, this building block is a valuable tool for medicinal chemistry and heterocycle synthesis.

Available in quantities from grams to kilograms, each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹³C NMR, HPLC chromatograms, and mass spectrometry reports. Store in a cool, dry place at 2-8°C protected from moisture.

Properties

• CAS Number: 147754-12-9
• Complexity: 158
• IUPAC Name: 4-fluoro-2-methyl-benzonitrile
• InChI: InChI=1S/C8H6FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3
• InChI Key: BJBXUIUJKPOZLV-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: CC1=C(C=CC(=C1)F)C#N
• Topological: 23.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 4-Fluoro-2-methylbenzonitrile, 147754-12-9, DTXSID30396948, DTXCID60347807, 604-600-9, BENZONITRILE, 4-FLUORO-2-METHYL-, MFCD03095106, 2-methyl-4-fluorobenzonitrile, 4-fluoro-2-methyl-benzonitrile, 4-fluoro-2-methylbenzenecarbonitrile, methyl 4-fluorobenzonitrile, SCHEMBL304892, 2-methyl-4-fluoro-benzonitrile, SCHEMBL2639674, BJBXUIUJKPOZLV-UHFFFAOYSA-N, BCP13430, SBB063003, 4-Fluoro-2-methylbenzonitrile, 97%, AKOS005063490, AC-4086, CS-W003024, PS-9125, SY004460, DB-023745, F0962, NS00120408, EN300-76865, Z1191845296

Application

4-Fluoro-2-methylbenzonitrile serves as a key precursor in the synthesis of fluorinated pharmaceuticals, particularly kinase inhibitors and CNS-active compounds. Its electron-withdrawing nitrile group and fluorine atom make it valuable for designing bioactive molecules with improved metabolic stability. The compound is also utilized in material science for developing liquid crystals and advanced polymers with tailored dielectric properties.

Safety and Hazards

GHS Hazard Statements

• H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.6%): 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 (14.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.9%): 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 (14.6%)
• Acute Tox. 4 (14.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (14.6%)
• STOT SE 3 (97.9%)

If you are interested or have any questions, please contact us at support@atomfair.com

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