Description

4-Chloro-2,5-difluorobenzonitrile (CAS No. 135748-35-5) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₇H₂ClF₂N. This versatile intermediate features a chloro and two fluoro substituents on the benzene ring, offering unique reactivity for nucleophilic aromatic substitution and cross-coupling reactions. With a molecular weight of 173.55 g/mol, this white to off-white crystalline solid is ideal for pharmaceutical synthesis, agrochemical development, and advanced material applications. Packaged under inert gas to ensure stability, our product is rigorously tested by HPLC/GC to guarantee ≥98% purity. Suitable for research scale to kilo-lab production, it is supplied in amber glass bottles with PTFE-lined caps to prevent moisture absorption.

Properties

• CAS Number: 135748-35-5
• Complexity: 188
• IUPAC Name: 4-chloro-2,5-difluoro-benzonitrile
• InChI: InChI=1S/C7H2ClF2N/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2H
• InChI Key: OMVDTUXOHXQKML-UHFFFAOYSA-N
• Exact Mass: 172.9843831
• Molecular Formula: C7H2ClF2N
• Molecular Weight: 173.55
• SMILES: C1=C(C(=CC(=C1F)Cl)F)C#N
• Topological: 23.8
• Monoisotopic Mass: 172.9843831
• Synonyms: 4-CHLORO-2,5-DIFLUOROBENZONITRILE, 135748-35-5, DTXSID10460818, DTXCID00411637, Benzonitrile, 4-chloro-2,5-difluoro-, MFCD06659464, 4-chloro-2,5-difluoro-benzonitrile, SCHEMBL1880028, OMVDTUXOHXQKML-UHFFFAOYSA-N, 2,5-Difluoro-4-chlorobenzonitrile, BCP06184, 2,5-difluoro-4-chloro-benzonitrile, AC-228, CL8209, AKOS006294608, DS-14146, SY111621, DB-005343, CS-0063913, EN300-3256112, Z1198169530

Application

4-Chloro-2,5-difluorobenzonitrile serves as a key building block in Suzuki-Miyaura couplings for creating biaryl structures in drug discovery. The compound’s fluorine atoms enable selective functionalization in the synthesis of kinase inhibitors and antimicrobial agents. Its electron-withdrawing properties make it valuable for developing liquid crystals and OLED materials.

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