Description

2-Fluoro-3-methylbenzonitrile (CAS No. 185147-07-3) 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 advanced material science due to its unique structural properties. The compound features a fluorine substituent at the 2-position and a methyl group at the 3-position of the benzonitrile scaffold, offering versatile reactivity for cross-coupling reactions, nucleophilic substitutions, and other functionalizations.

Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in sealed, light-resistant containers under inert atmosphere to guarantee stability. Available in quantities ranging from milligrams to kilograms, it is ideal for laboratory-scale experiments and industrial applications. SDS and analytical certificates (CoA) are provided upon request.

Properties

• CAS Number: 185147-07-3
• Complexity: 158
• IUPAC Name: 2-fluoro-3-methyl-benzonitrile
• InChI: InChI=1S/C8H6FN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
• InChI Key: KBFVSJVSSMGQJC-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: CC1=C(C(=CC=C1)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 2-Fluoro-3-methylbenzonitrile, 185147-07-3, DTXSID50631126, DTXCID90581878, 968-687-8, MFCD07782078, 2-fluoro-3-methyl-benzonitrile, 2-fluoro-3-cyano toluene, Benzonitrile, 2-fluoro-3-methyl-, 2-fluoro-3-methylbenzenecarbonitrile, SCHEMBL379458, SCHEMBL2956794, KBFVSJVSSMGQJC-UHFFFAOYSA-N, SBB063009, AKOS006344546, AC-4079, CS-W003435, DS-12557, SY014073, DB-023790, EN300-94981

Application

2-Fluoro-3-methylbenzonitrile serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and CNS-active compounds. Its electron-withdrawing nitrile group and fluorine substituent make it valuable for constructing heterocycles in agrochemicals. Researchers also employ it in Suzuki-Miyaura couplings to develop advanced materials with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Acute Tox. 3 (100%)
• Acute Tox. 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.