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Atomfair Methyl 2-bromo-6-fluorobenzoate C8H6BrFO2 CAS 820236-81-5

Methyl 2-bromo-6-fluorobenzoate (CAS No. 820236-81-5) is a high-purity fluorinated benzoate ester with the molecular formula C8H6BrFO2. This specialized organic compound is widely utilized in pharmaceutical and agrochemical research as a key intermediate for the synthesis of complex molecules. Its unique structure, featuring both bromo and fluoro substituents on the aromatic ring, enables selective functionalization in cross-coupling reactions, nucleophilic substitutions, and other advanced synthetic transformations. The compound is supplied as a clear to pale yellow liquid (or low-melting solid) with ≥95% purity by GC analysis, ensuring consistent performance in demanding applications. Proper storage under inert atmosphere at 2-8°C is recommended to…

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Description

Methyl 2-bromo-6-fluorobenzoate (CAS No. 820236-81-5) is a high-purity fluorinated benzoate ester with the molecular formula C8H6BrFO2. This specialized organic compound is widely utilized in pharmaceutical and agrochemical research as a key intermediate for the synthesis of complex molecules. Its unique structure, featuring both bromo and fluoro substituents on the aromatic ring, enables selective functionalization in cross-coupling reactions, nucleophilic substitutions, and other advanced synthetic transformations. The compound is supplied as a clear to pale yellow liquid (or low-melting solid) with ≥95% purity by GC analysis, ensuring consistent performance in demanding applications. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

Properties

  • CAS Number: 820236-81-5
  • Complexity: 174
  • IUPAC Name: methyl 2-bromo-6-fluoro-benzoate
  • InChI: InChI=1S/C8H6BrFO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
  • InChI Key: TZQFXIYFLBBLQJ-UHFFFAOYSA-N
  • Exact Mass: 231.95352
  • Molecular Formula: C8H6BrFO2
  • Molecular Weight: 233.03
  • SMILES: COC(=O)C1=C(C=CC=C1Br)F
  • Topological: 26.3
  • Monoisotopic Mass: 231.95352
  • Synonyms: METHYL 2-BROMO-6-FLUOROBENZOATE, 820236-81-5, DTXSID30479861, DTXCID50430671, 800-919-4, 2-Bromo-6-fluorobenzoic acid methyl ester, MFCD10000922, Benzoic acid, 2-bromo-6-fluoro-, methyl ester, METHYL2-BROMO-6-FLUOROBENZOATE, SCHEMBL9987797, TZQFXIYFLBBLQJ-UHFFFAOYSA-, Methyl 2-bromo-6-fluoro-benzoate, TZQFXIYFLBBLQJ-UHFFFAOYSA-N, AKOS015834881, FB70039, DS-18654, SY038477, 2-Bromo-6-fluorobenzoic acid methyl ester;, DB-370740, CS-0045059, EN300-244271, Z1269165316, InChI=1/C8H6BrFO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3

Application

Methyl 2-bromo-6-fluorobenzoate serves as a versatile building block in medicinal chemistry, particularly for developing fluorinated drug candidates through Suzuki-Miyaura coupling reactions. The compound’s orthogonal reactivity allows sequential modification of both halogen sites in palladium-catalyzed cross-couplings. Researchers also employ it as a precursor for synthesizing fluorinated liquid crystals and advanced materials. In agrochemical research, it functions as an intermediate for creating novel pesticides with enhanced bioactivity.

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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