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Atomfair 4-Bromo-2-fluoro-6-methylbenzoic acid C8H6BrFO2 CAS 1242157-23-8

4-Bromo-2-fluoro-6-methylbenzoic acid (CAS No. 1242157-23-8) is a high-purity, halogen-substituted benzoic acid derivative with the molecular formula C8H6BrFO2. This compound is an essential building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring bromo, fluoro, and methyl substituents on the aromatic ring, enables versatile reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. The product is rigorously tested for quality, ensuring ≥95% purity by HPLC, and is supplied as a white to off-white crystalline powder. Ideal for medicinal chemistry, material science, and ligand design, it is packaged under inert conditions to guarantee stability and longevity.

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Description

4-Bromo-2-fluoro-6-methylbenzoic acid (CAS No. 1242157-23-8) is a high-purity, halogen-substituted benzoic acid derivative with the molecular formula C8H6BrFO2. This compound is an essential building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring bromo, fluoro, and methyl substituents on the aromatic ring, enables versatile reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. The product is rigorously tested for quality, ensuring ≥95% purity by HPLC, and is supplied as a white to off-white crystalline powder. Ideal for medicinal chemistry, material science, and ligand design, it is packaged under inert conditions to guarantee stability and longevity.

Properties

  • CAS Number: 1242157-23-8
  • Complexity: 186
  • IUPAC Name: 4-bromo-2-fluoro-6-methyl-benzoic acid
  • InChI: InChI=1S/C8H6BrFO2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
  • InChI Key: VFWRRIRDHDOGEE-UHFFFAOYSA-N
  • Exact Mass: 231.95352
  • Molecular Formula: C8H6BrFO2
  • Molecular Weight: 233.03
  • SMILES: CC1=CC(=CC(=C1C(=O)O)F)Br
  • Topological: 37.3
  • Monoisotopic Mass: 231.95352
  • Synonyms: 4-Bromo-2-fluoro-6-methylbenzoic acid, 1242157-23-8, DTXSID30736502, DTXCID70687246, 865-856-7, Benzoic acid, 4-bromo-2-fluoro-6-methyl-, MFCD18072908, 4-bromo-2-fluoro-6-methyl-benzoic acid, 4-Bromo-2-fluoro-6-methylbenzoicacid, SCHEMBL1727042, VFWRRIRDHDOGEE-UHFFFAOYSA-N, BCP28237, CL9010, AKOS016006045, PB47566, 4-bromo-2-fluoro-6-methyl benzoic acid, AC-28635, DS-17286, SY019125, DB-367443, CS-0054155, EN300-155732, Z1269215172

Application

4-Bromo-2-fluoro-6-methylbenzoic acid is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its halogenated aromatic core makes it valuable for Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to construct complex heterocycles. Researchers also employ it in the development of fluorinated bioactive compounds, leveraging its fluorine atom for enhanced metabolic stability. Additionally, it serves as a precursor in agrochemical research for designing novel herbicides and fungicides.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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