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Atomfair 4-Bromo-3-fluorobenzoic acid C7H4BrFO2 CAS 153556-42-4

4-Bromo-3-fluorobenzoic acid (CAS: 153556-42-4) is a high-purity halogenated benzoic acid derivative widely utilized in pharmaceutical, agrochemical, and material science research. With the molecular formula C7H4BrFO2, this compound serves as a critical intermediate in organic synthesis, particularly in Suzuki-Miyaura coupling reactions and carboxylation processes. Its unique bromo-fluoro substitution pattern enhances reactivity for regioselective modifications, making it invaluable for constructing complex aromatic frameworks. Available in crystalline powder form, it is rigorously tested for purity (typically ≥97% by HPLC) and stability under standard storage conditions (2-8°C). Ideal for researchers requiring precision in medicinal chemistry, catalysis, and polymer development.

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Description

4-Bromo-3-fluorobenzoic acid (CAS: 153556-42-4) is a high-purity halogenated benzoic acid derivative widely utilized in pharmaceutical, agrochemical, and material science research. With the molecular formula C7H4BrFO2, this compound serves as a critical intermediate in organic synthesis, particularly in Suzuki-Miyaura coupling reactions and carboxylation processes. Its unique bromo-fluoro substitution pattern enhances reactivity for regioselective modifications, making it invaluable for constructing complex aromatic frameworks. Available in crystalline powder form, it is rigorously tested for purity (typically ≥97% by HPLC) and stability under standard storage conditions (2-8°C). Ideal for researchers requiring precision in medicinal chemistry, catalysis, and polymer development.

Properties

  • CAS Number: 153556-42-4
  • Complexity: 163
  • IUPAC Name: 4-bromo-3-fluoro-benzoic acid
  • InChI: InChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
  • InChI Key: RMYOGXPGIDWJLU-UHFFFAOYSA-N
  • Exact Mass: 217.93787
  • Molecular Formula: C7H4BrFO2
  • Molecular Weight: 219.01
  • SMILES: C1=CC(=C(C=C1C(=O)O)F)Br
  • Topological: 37.3
  • Monoisotopic Mass: 217.93787
  • Synonyms: 4-BROMO-3-FLUOROBENZOIC ACID, 153556-42-4, Benzoic acid, 4-bromo-3-fluoro-, DTXSID70378389, DTXCID10329416, 630-193-2, MFCD00672932, 3-fluoro-4-bromobenzoic acid, 4-bromo-3-fluoro-benzoic Acid, 4-Bromo-3-fluorobenzoicacid, SCHEMBL286942, 4-bromo-3-fluoro benzoic acid, BCP24582, SBB063378, AKOS005257999, AB06858, CS-W002663, PS-7893, SY008839, DB-006711, ST50408674, EN300-52692, Z756477072

4-Bromo-3-fluorobenzoic acid is primarily employed as a building block in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its halogenated structure facilitates cross-coupling reactions to generate biaryl compounds for drug discovery. In material science, it aids in designing liquid crystals and flame retardants. The compound also finds use in agrochemical research for developing novel herbicides and fungicides.

Safety and Hazards

GHS Hazard Statements

  • H301 (81.2%): Toxic if swallowed [Danger Acute toxicity, oral]
  • H315 (18.8%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (18.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 3 (81.2%)
  • Skin Irrit. 2 (18.8%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (18.8%)

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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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