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Atomfair 2-Chloro-6-formylbenzonitrile C8H4ClNO CAS 77532-86-6

2-Chloro-6-formylbenzonitrile (CAS No. 77532-86-6) is a high-purity organic compound with the molecular formula C8H4ClNO . This fine chemical features a chloro-substituted benzene ring with both formyl (–CHO) and cyano (–CN) functional groups, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its unique structure enables applications in cross-coupling reactions, heterocyclic synthesis, and as a precursor for bioactive molecules. Supplied as a crystalline solid with ≥98% purity (HPLC), it is rigorously tested for consistency, stability, and low trace metal content. Packaged under inert gas to prevent degradation, this product is ideal for demanding synthetic workflows.

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Description

2-Chloro-6-formylbenzonitrile (CAS No. 77532-86-6) is a high-purity organic compound with the molecular formula C8H4ClNO. This fine chemical features a chloro-substituted benzene ring with both formyl (–CHO) and cyano (–CN) functional groups, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its unique structure enables applications in cross-coupling reactions, heterocyclic synthesis, and as a precursor for bioactive molecules. Supplied as a crystalline solid with ≥98% purity (HPLC), it is rigorously tested for consistency, stability, and low trace metal content. Packaged under inert gas to prevent degradation, this product is ideal for demanding synthetic workflows.

Properties

  • CAS Number: 77532-86-6
  • Complexity: 196
  • IUPAC Name: 2-chloro-6-formyl-benzonitrile
  • InChI: InChI=1S/C8H4ClNO/c9-8-3-1-2-6(5-11)7(8)4-10/h1-3,5H
  • InChI Key: YJNHLGKBKBWMNT-UHFFFAOYSA-N
  • Exact Mass: 164.9981414
  • Molecular Formula: C8H4ClNO
  • Molecular Weight: 165.57
  • SMILES: C1=CC(=C(C(=C1)Cl)C#N)C=O
  • Topological: 40.9
  • Monoisotopic Mass: 164.9981414
  • Synonyms: 2-chloro-6-formylbenzonitrile, 77532-86-6, DTXSID10604775, DTXCID70555532, 3-Chloro-2-cyanobenzaldehyde, MFCD10699534, SCHEMBL584557, BCP32209, AKOS006304637, DS-3871, SY014644, DB-075343, CS-0043828, W17053, 2-Chloro-6-formylbenzonitrile;5-formyl-6-cyanochlorobenzene, 3-Chloro-2-cyanobenzaldehyde;2-Cyano-3-chlorobenzaldehyde

2-Chloro-6-formylbenzonitrile serves as a key building block in the synthesis of pharmaceutical intermediates, particularly for kinase inhibitors and antimicrobial agents. Its reactive formyl and cyano groups facilitate condensation and cyclization reactions to construct quinazolines, benzimidazoles, and other N-heterocycles. Researchers also utilize it in palladium-catalyzed cross-couplings for biaryl formation. Suitable for small-scale R&D and process chemistry optimization.

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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