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Atomfair Methyl 4-(2-bromoethynyl)benzoate C10H7BrO2 CAS 225928-10-9

Methyl 4-(2-bromoethynyl)benzoate (CAS No. 225928-10-9) is a high-purity organic compound with the molecular formula C10H7BrO2, widely utilized in synthetic organic chemistry and pharmaceutical research. This compound features a reactive bromoethynyl group attached to a benzoate ester, making it a versatile building block for cross-coupling reactions, such as Sonogashira and Suzuki couplings. Its crystalline form ensures consistent reactivity, and it is supplied with detailed analytical certifications (including1H NMR,13C NMR, and HPLC) to guarantee quality. Ideal for researchers developing novel heterocycles, conjugated polymers, or bioactive molecules. Store under inert conditions at recommended temperatures to maintain stability.

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Description

Methyl 4-(2-bromoethynyl)benzoate (CAS No. 225928-10-9) is a high-purity organic compound with the molecular formula C10H7BrO2, widely utilized in synthetic organic chemistry and pharmaceutical research. This compound features a reactive bromoethynyl group attached to a benzoate ester, making it a versatile building block for cross-coupling reactions, such as Sonogashira and Suzuki couplings. Its crystalline form ensures consistent reactivity, and it is supplied with detailed analytical certifications (including 1H NMR, 13C NMR, and HPLC) to guarantee quality. Ideal for researchers developing novel heterocycles, conjugated polymers, or bioactive molecules. Store under inert conditions at recommended temperatures to maintain stability.

Properties

  • CAS Number: 225928-10-9
  • Complexity: 240
  • IUPAC Name: methyl 4-(2-bromoethynyl)benzoate
  • InChI: InChI=1S/C10H7BrO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,1H3
  • InChI Key: LVAXOQWVIMIKSJ-UHFFFAOYSA-N
  • Exact Mass: 237.96294
  • Molecular Formula: C10H7BrO2
  • Molecular Weight: 239.06
  • SMILES: COC(=O)C1=CC=C(C=C1)C#CBr
  • Topological: 26.3
  • Monoisotopic Mass: 237.96294
  • Synonyms: Methyl 4-(2-bromoethynyl)benzoate, 895-853-6, methyl 4-(bromoethynyl)benzoate, 225928-10-9, MFCD16251110, Methyl4-(bromoethynyl)benzoate, SCHEMBL3013267, DTXSID50450152, LVAXOQWVIMIKSJ-UHFFFAOYSA-N, AJA92810, AKOS015916925, AS-61474, DA-43177, SY123813, CS-0112197, EN300-5645337

Application

Methyl 4-(2-bromoethynyl)benzoate serves as a key intermediate in the synthesis of advanced materials and pharmaceuticals. It is employed in palladium-catalyzed coupling reactions to construct conjugated systems for organic electronics. Researchers also use it to introduce ethynyl-benzoate motifs into drug candidates for enhanced binding properties. Its bromoethynyl group enables facile functionalization in peptide and small-molecule derivatization.

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%)

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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