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Atomfair 3-Bromo-4-fluorobenzoic acid C7H4BrFO2 CAS 1007-16-5

3-Bromo-4-fluorobenzoic acid (CAS No. 1007-16-5) is a high-purity halogenated benzoic acid derivative with the molecular formula C7H4BrFO2. This white to off-white crystalline powder is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. With a molecular weight of 219.01 g/mol, it offers excellent reactivity for nucleophilic substitution and metal-catalyzed coupling reactions. The compound is characterized by its bromo and fluoro substituents at the 3- and 4-positions respectively, which enable precise regioselective modifications. Packaged under inert atmosphere to ensure stability, our product is rigorously tested by HPLC (>98% purity) and meets the highest standards for research applications.…

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Description

3-Bromo-4-fluorobenzoic acid (CAS No. 1007-16-5) is a high-purity halogenated benzoic acid derivative with the molecular formula C7H4BrFO2. This white to off-white crystalline powder is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. With a molecular weight of 219.01 g/mol, it offers excellent reactivity for nucleophilic substitution and metal-catalyzed coupling reactions. The compound is characterized by its bromo and fluoro substituents at the 3- and 4-positions respectively, which enable precise regioselective modifications. Packaged under inert atmosphere to ensure stability, our product is rigorously tested by HPLC (>98% purity) and meets the highest standards for research applications. Available in quantities from grams to kilograms with customizable packaging options.

Properties

  • CAS Number: 1007-16-5
  • Complexity: 163
  • IUPAC Name: 3-bromo-4-fluoro-benzoic acid
  • InChI: InChI=1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
  • InChI Key: ONELILMJNOWXSA-UHFFFAOYSA-N
  • Exact Mass: 217.93787
  • Molecular Formula: C7H4BrFO2
  • Molecular Weight: 219.01
  • SMILES: C1=CC(=C(C=C1C(=O)O)Br)F
  • Topological: 37.3
  • Monoisotopic Mass: 217.93787
  • Synonyms: 3-Bromo-4-fluorobenzoic acid, 1007-16-5, Benzoic acid, 3-bromo-4-fluoro-, EINECS 213-751-6, DTXSID10143457, DTXCID9065948, 213-751-6, 3-bromo-4-fluoro-benzoic acid, 3-Bromo-4-Fluorobenzoicacid, MFCD00042463, 4-fluoro-3-bromo benzoic acid, 5-bromo-4-fluorobenzoic acid, SCHEMBL104151, 4-fluoro-3-bromo-benzoic acid, BBL010023, SBB063453, STK711121, 3-Bromo-4-fluorobenzoic acid, 95%, AKOS005530693, AB01920, AC-2774, CS-W004834, PS-7896, NCGC00336974-01, SY002875, DB-023676, B2133, NS00042984, ST50319915, EN300-85895, AB01330191-02, Z381356490, InChI=1/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11

Application

3-Bromo-4-fluorobenzoic acid serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of fluorinated drug candidates. Researchers utilize this compound in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to create complex biaryl structures. Its unique substitution pattern makes it valuable for studying structure-activity relationships in medicinal chemistry programs. The compound also finds application in material science as a precursor for liquid crystals and specialty polymers.

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 (97.9%): 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. 2 (100%)
  • STOT SE 3 (97.9%)

If you are interested or have any questions, please contact us at support@atomfair.com

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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