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Atomfair 2-(4-Bromophenyl)-2-oxoacetic acid C8H5BrO3 CAS 7099-87-8

2-(4-Bromophenyl)-2-oxoacetic acid (CAS No. 7099-87-8) is a high-purity brominated aromatic compound with the molecular formula C8H5BrO3. 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 229.03 g/mol, it features a reactive α-keto acid moiety adjacent to a 4-bromophenyl group, enabling diverse transformations. Our product is rigorously tested via HPLC (>98% purity), NMR, and mass spectrometry to ensure batch-to-batch consistency. Ideal for Suzuki couplings, peptide modifications, or heterocycle synthesis. Packaged under inert gas in amber glass vials with PTFE-lined caps to prevent degradation. Available in…

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Description

2-(4-Bromophenyl)-2-oxoacetic acid (CAS No. 7099-87-8) is a high-purity brominated aromatic compound with the molecular formula C8H5BrO3. 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 229.03 g/mol, it features a reactive α-keto acid moiety adjacent to a 4-bromophenyl group, enabling diverse transformations. Our product is rigorously tested via HPLC (>98% purity), NMR, and mass spectrometry to ensure batch-to-batch consistency. Ideal for Suzuki couplings, peptide modifications, or heterocycle synthesis. Packaged under inert gas in amber glass vials with PTFE-lined caps to prevent degradation. Available in research (1g, 5g) and bulk (25g, 100g) quantities with optional COA/MSDS documentation.

Properties

  • CAS Number: 7099-87-8
  • Complexity: 194
  • IUPAC Name: 2-(4-bromophenyl)-2-oxo-acetic acid
  • InChI: InChI=1S/C8H5BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
  • InChI Key: UASZGGQRDGLTIQ-UHFFFAOYSA-N
  • Exact Mass: 227.94221
  • Molecular Formula: C8H5BrO3
  • Molecular Weight: 229.03
  • SMILES: C1=CC(=CC=C1C(=O)C(=O)O)Br
  • Topological: 54.4
  • Monoisotopic Mass: 227.94221
  • Synonyms: 2-(4-bromophenyl)-2-oxoacetic acid, 7099-87-8, DTXSID40345346, DTXCID40296420, 837-671-1, MFCD07698695, 2-(4-Bromophenyl)-2-oxoaceticacid, 4-Bromobenzoylformic acid, SCHEMBL3500800, UASZGGQRDGLTIQ-UHFFFAOYSA-N, HAA09987, (4-Bromophenyl)(oxo)acetic acid #, AKOS009312824, AB10481, DS-5387, DA-28287, Benzeneacetic acid, 4-bromo-.alpha.-oxo-, CS-0157610, EN300-77244, Z381360898

Application

This compound serves as a key intermediate in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs) and tyrosine kinase inhibitors. Researchers utilize its reactive keto-acid group for condensation reactions with hydrazines to form biologically active heterocycles. The bromo substituent enables palladium-catalyzed cross-coupling reactions in medicinal chemistry workflows. It has demonstrated utility in developing fluorescent probes for biochemical assays due to its aromatic electron-withdrawing properties.

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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