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Atomfair 4-Bromo-3-formylbenzonitrile C8H4BrNO CAS 89003-95-2

4-Bromo-3-formylbenzonitrile (CAS No. 89003-95-2) is a high-purity aromatic compound with the molecular formula C8H4BrNO , widely utilized in organic synthesis and pharmaceutical research. This compound features both a bromo substituent and a formyl group on a benzonitrile scaffold, making it a versatile intermediate for cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig reactions. Its nitrile functionality further enhances its reactivity, enabling transformations into carboxylic acids, amides, or tetrazoles. Ideal for researchers developing novel heterocyclic compounds or bioactive molecules, this product is rigorously tested for purity and stability. Supplied in secure packaging to ensure integrity, it is a critical reagent for medicinal…

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Description

4-Bromo-3-formylbenzonitrile (CAS No. 89003-95-2) is a high-purity aromatic compound with the molecular formula C8H4BrNO, widely utilized in organic synthesis and pharmaceutical research. This compound features both a bromo substituent and a formyl group on a benzonitrile scaffold, making it a versatile intermediate for cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig reactions. Its nitrile functionality further enhances its reactivity, enabling transformations into carboxylic acids, amides, or tetrazoles. Ideal for researchers developing novel heterocyclic compounds or bioactive molecules, this product is rigorously tested for purity and stability. Supplied in secure packaging to ensure integrity, it is a critical reagent for medicinal chemistry, agrochemical development, and material science applications.

Properties

  • CAS Number: 89003-95-2
  • Complexity: 196
  • IUPAC Name: 4-bromo-3-formyl-benzonitrile
  • InChI: InChI=1S/C8H4BrNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
  • InChI Key: BFXZVSRDZFPABM-UHFFFAOYSA-N
  • Exact Mass: 208.94763
  • Molecular Formula: C8H4BrNO
  • Molecular Weight: 210.03
  • SMILES: C1=CC(=C(C=C1C#N)C=O)Br
  • Topological: 40.9
  • Monoisotopic Mass: 208.94763
  • Synonyms: 4-Bromo-3-formylbenzonitrile, 89003-95-2, DTXSID30626636, DTXCID60577389, 855-849-7, 5-Cyano-2-bromobenzaldehyde, 4-BROMO-3-FORMYL-BENZONITRILE, 2-Bromo-5-cyanobenzaldehyde, MFCD11858309, Benzonitrile, 4-bromo-3-formyl-, SCHEMBL1351408, BFXZVSRDZFPABM-UHFFFAOYSA-N, CL9628, AKOS016001418, GS-5511, SB39653, SY023597, DB-017943, CS-0100192, EN300-268577, Z1269115109

Application

4-Bromo-3-formylbenzonitrile serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the construction of kinase inhibitors and other biologically active heterocycles. Its reactive bromo and formyl groups facilitate selective modifications, enabling the development of complex molecular architectures. Researchers also employ it in metal-catalyzed coupling reactions to build extended conjugated systems for optoelectronic materials. Additionally, it is used in agrochemical research for derivatization into herbicidal or fungicidal compounds.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • Acute Tox. 4 (100%)
  • STOT SE 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.

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).

Patent & Regulatory Compliance

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

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • 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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