Description

4-Amino-2-fluoro-5-methylbenzonitrile (CAS No. 1357942-79-0) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₈H₇FN₂. This specialty chemical is designed for advanced research applications, particularly in pharmaceutical and agrochemical synthesis. The compound features a unique combination of amino, fluoro, and nitrile functional groups on a methyl-substituted benzene ring, making it a versatile intermediate for heterocyclic chemistry and drug discovery. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a fine crystalline powder with excellent batch-to-batch consistency. Proper storage at 2-8°C under inert atmosphere is recommended for long-term stability. Suitable for use in Suzuki couplings, Buchwald-Hartwig aminations, and other palladium-catalyzed cross-coupling reactions.

Properties

• CAS Number: 1357942-79-0
• Complexity: 184
• IUPAC Name: 4-amino-2-fluoro-5-methyl-benzonitrile
• InChI: InChI=1S/C8H7FN2/c1-5-2-6(4-10)7(9)3-8(5)11/h2-3H,11H2,1H3
• InChI Key: STKTWKBZHAFRNZ-UHFFFAOYSA-N
• Exact Mass: 150.05932639
• Molecular Formula: C8H7FN2
• Molecular Weight: 150.15
• SMILES: CC1=CC(=C(C=C1N)F)C#N
• Topological: 49.8
• Monoisotopic Mass: 150.05932639
• Synonyms: 4-Amino-2-fluoro-5-methylbenzonitrile, 1357942-79-0, MFCD15529743, 4-amino-2-fluoro-5-methyl-benzonitrile, 2-Fluoro-4-amino-5-methylbenzonitrile, SCHEMBL9821013, DTXSID30562303, STKTWKBZHAFRNZ-UHFFFAOYSA-N, AKOS015999692, SB76649, DS-17800, SY116262, DB-346990, CS-0105515

Application

4-Amino-2-fluoro-5-methylbenzonitrile serves as a key building block in medicinal chemistry for the development of kinase inhibitors and other biologically active molecules. The compound’s fluorine substitution pattern makes it particularly valuable for creating analogs with improved metabolic stability and membrane permeability. Researchers utilize this intermediate in the synthesis of potential anticancer agents and CNS-targeting pharmaceuticals. The nitrile group offers additional versatility for further functionalization through reduction or nucleophilic addition reactions.

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