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Atomfair 2-Bromo-5-fluorobenzoic acid C7H4BrFO2 CAS 394-28-5

2-Bromo-5-fluorobenzoic acid (CAS No. 394-28-5) is a high-purity organic compound with the molecular formula C7H4BrFO2, widely utilized in pharmaceutical and agrochemical research. This halogenated benzoic acid derivative serves as a critical intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. With a purity of ≥96%, it is ideal for coupling reactions, metal-catalyzed cross-coupling (e.g., Suzuki, Heck), and as a building block for fluorinated heterocycles. The product is supplied as a white to off-white crystalline powder, ensuring consistent performance in demanding synthetic applications. Proper storage under inert conditions is recommended to maintain stability.

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Description

2-Bromo-5-fluorobenzoic acid (CAS No. 394-28-5) is a high-purity organic compound with the molecular formula C7H4BrFO2, widely utilized in pharmaceutical and agrochemical research. This halogenated benzoic acid derivative serves as a critical intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. With a purity of ≥96%, it is ideal for coupling reactions, metal-catalyzed cross-coupling (e.g., Suzuki, Heck), and as a building block for fluorinated heterocycles. The product is supplied as a white to off-white crystalline powder, ensuring consistent performance in demanding synthetic applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

  • CAS Number: 394-28-5
  • Complexity: 163
  • IUPAC Name: 2-bromo-5-fluoro-benzoic acid
  • InChI: InChI=1S/C7H4BrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
  • InChI Key: OQBMJMJZMDBQSM-UHFFFAOYSA-N
  • Exact Mass: 217.93787
  • Molecular Formula: C7H4BrFO2
  • Molecular Weight: 219.01
  • SMILES: C1=CC(=C(C=C1F)C(=O)O)Br
  • Topological: 37.3
  • Monoisotopic Mass: 217.93787
  • Synonyms: 2-Bromo-5-fluorobenzoic acid, 394-28-5, Benzoic acid, 2-bromo-5-fluoro-, DTXSID90380803, DTXCID20331828, 609-678-8, 5-fluoro-2-bromobenzoic acid, 2-bromo-5-fluoro-benzoic Acid, 2-Bromo-5-fluorobenzoicacid, MFCD00142874, SCHEMBL221445, BCP14905, CK2228, SBB063403, 2-Bromo-5-fluorobenzoic acid, 96%, AKOS001281793, AB03824, AC-2540, CS-W014777, FB12070, GS-3044, SY001902, DB-006014, A6597, B2722, NS00124139, ST50320221, EN300-14288, AS-710/43364253, Z104510142

2-Bromo-5-fluorobenzoic acid is primarily used as a versatile synthon in medicinal chemistry for developing fluorinated drug candidates. It facilitates the introduction of both bromo and fluoro substituents into complex molecules, enhancing bioavailability and metabolic stability. Researchers employ it in palladium-catalyzed cross-coupling reactions to construct biaryl scaffolds. Additionally, it finds utility in material science for designing liquid crystals and organic semiconductors. Its compatibility with Grignard and lithiation reactions further expands its synthetic utility.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (77.8%)

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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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