Description

3-Fluoro-2-methylbenzonitrile (CAS No. 185147-06-2) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₈H₆FN. This specialty chemical is widely utilized in pharmaceutical research, agrochemical synthesis, and material science due to its unique structural properties. The compound features a fluorine substituent at the 3-position and a methyl group at the 2-position of the benzonitrile ring, offering excellent reactivity for further functionalization. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert conditions to guarantee stability. Ideal for cross-coupling reactions, nucleophilic substitutions, and as a building block for advanced heterocyclic systems.

Properties

• CAS Number: 185147-06-2
• Complexity: 158
• IUPAC Name: 3-fluoro-2-methyl-benzonitrile
• InChI: InChI=1S/C8H6FN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3
• InChI Key: DMQFTNHJWVKVGE-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: CC1=C(C=CC=C1F)C#N
• Topological: 23.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 3-Fluoro-2-methylbenzonitrile, 185147-06-2, DTXSID40381340, DTXCID70332365, 674-759-7, Benzonitrile, 3-fluoro-2-methyl-, MFCD03788541, 2-cyano-6-fluorotoluene, 2-methyl-3-fluoro benzonitrile, 3-fluoro-2-methylbenzenecarbonitrile, 2-methyl-3-fluorobenzonitrile, 3-fluoro-2-methyl-benzonitrile, SCHEMBL422904, SCHEMBL2639148, DMQFTNHJWVKVGE-UHFFFAOYSA-N, SBB063635, AKOS005063619, AC-4083, CS-W019425, FF33625, PS-9124, SY031415, 3-fluoro-2-methylbenzonitrile, AldrichCPR, DB-023789, EN300-2524366

Application

3-Fluoro-2-methylbenzonitrile serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly kinase inhibitors and CNS-active compounds. Its electron-withdrawing nitrile group and fluorine atom enhance reactivity in palladium-catalyzed coupling reactions. Researchers also employ it in the development of liquid crystals and agrochemicals due to its aromatic stability and selective substitution patterns. The methyl group facilitates further derivatization for structure-activity relationship (SAR) studies.

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 (28.6%): 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. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (28.6%)

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