Description

2,6-Dichloro-3-fluorobenzonitrile (CAS No. 136514-16-4) is a high-purity halogenated benzonitrile derivative with the molecular formula C₇H₂Cl₂FN. This aromatic compound features two chlorine substituents at the 2- and 6-positions and a fluorine atom at the 3-position of the benzonitrile scaffold, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Its unique electronic and steric properties enable selective reactivity in cross-coupling reactions, nucleophilic substitutions, and other transformations. Supplied as a crystalline solid with ≥95% purity (HPLC), this reagent is ideal for constructing complex heterocycles, agrochemicals, and bioactive molecules. Packaged under inert gas in amber glass vials to ensure stability.

Properties

• CAS Number: 136514-16-4
• Complexity: 188
• IUPAC Name: 2,6-dichloro-3-fluoro-benzonitrile
• InChI: InChI=1S/C7H2Cl2FN/c8-5-1-2-6(10)7(9)4(5)3-11/h1-2H
• InChI Key: YOXSSLGLBOIPNA-UHFFFAOYSA-N
• Exact Mass: 188.9548326
• Molecular Formula: C7H2Cl2FN
• Molecular Weight: 190.00
• SMILES: C1=CC(=C(C(=C1F)Cl)C#N)Cl
• Topological: 23.8
• Monoisotopic Mass: 188.9548326
• Synonyms: 2,6-dichloro-3-fluorobenzonitrile, 136514-16-4, 2, 6-Dichloro-3-fluorobenzonitrile, SCHEMBL7555568, DA-27531

Application

2,6-Dichloro-3-fluorobenzonitrile serves as a key building block in the synthesis of herbicides, fungicides, and pharmaceutical candidates. Its electron-deficient aromatic ring facilitates Suzuki-Miyaura and Buchwald-Hartwig couplings for biaryl formation. Researchers utilize this compound to introduce dichloro-fluorophenyl motifs into drug discovery scaffolds targeting kinase inhibition. The nitrile group offers additional derivatization potential via hydrolysis or reduction to amidines and amines.

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