Description

2-Fluoro-5-methylbenzonitrile (CAS No. 64113-84-4) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₈H₆FN. This specialized chemical is designed for advanced research and industrial applications, offering exceptional reactivity due to its fluoro and nitrile functional groups. Ideal for pharmaceutical intermediates, agrochemical synthesis, and material science research, this compound is rigorously tested to ensure ≥98% purity (GC) and consistency. Supplied in secure, tamper-proof packaging under inert conditions to maintain stability. Suitable for use in cross-coupling reactions, nucleophilic substitutions, and as a building block in heterocyclic chemistry. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 64113-84-4
• Complexity: 158
• IUPAC Name: 2-fluoro-5-methyl-benzonitrile
• InChI: InChI=1S/C8H6FN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
• InChI Key: CMAOLVNGLTWICC-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: CC1=CC(=C(C=C1)F)C#N
• Topological: 23.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 2-Fluoro-5-methylbenzonitrile, 64113-84-4, DTXSID90379111, DTXCID00330137, 625-630-9, MFCD00134542, 2-fluoro-5-methylbenzenecarbonitrile, 6-Fluoro-m-tolunitrile, BENZONITRILE, 2-FLUORO-5-METHYL-, 2-fluoro-5-methyl-benzonitrile, 3-CYANO-4-FLUOROTOLUENE, 5-Methy2-fluorobenzonitrile, SCHEMBL253758, SCHEMBL559552, 2-fluoro-5 methyl benzonitrile, CK1050, SBB064083, 2-Fluoro-5-methylbenzonitrile, 99%, AKOS005254738, AC-4081, CS-W011066, DS-0900, FF64150, PS-9126, BP-11296, SY016256, DB-024183, F0573, ST51038259, EN300-75460, Z1079179202

Application

2-Fluoro-5-methylbenzonitrile serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing nitrile and fluoro groups enhance reactivity in palladium-catalyzed cross-coupling reactions. Researchers utilize this compound to develop novel bioactive molecules and liquid crystal materials. It is also employed in the preparation of fluorinated polymers and advanced organic electronic materials.

Safety and Hazards

GHS Hazard Statements

• H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.7%)
• Acute Tox. 4 (95.7%)
• Acute Tox. 4 (95.7%)

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.