Description

Bromo(phenyl)acetic acid (CAS: 4870-65-9) is a high-purity organic compound with the molecular formula C₈H₇BrO₂. This versatile reagent features a bromine-substituted phenylacetic acid structure, making it an essential intermediate in organic synthesis, pharmaceutical research, and fine chemical production. Its α-bromo substitution enhances reactivity, enabling use in nucleophilic substitutions, coupling reactions, and asymmetric synthesis. Available in crystalline form with ≥98% purity, this product is rigorously tested via HPLC, NMR, and LC-MS to ensure consistency for sensitive applications. Ideal for laboratory-scale experiments or industrial processes requiring precise bromination or carboxylate functionalization.

Properties

• CAS Number: 4870-65-9
• Complexity: 141
• IUPAC Name: 2-bromo-2-phenyl-acetic acid
• InChI: InChI=1S/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
• InChI Key: WAKFRZBXTKUFIW-UHFFFAOYSA-N
• Exact Mass: 213.96294
• Molecular Formula: C8H7BrO2
• Molecular Weight: 215.04
• SMILES: C1=CC=C(C=C1)C(C(=O)O)Br
• Topological: 37.3
• Monoisotopic Mass: 213.96294
• Synonyms: 4870-65-9, Bromo(phenyl)acetic acid, bromophenylacetic acid, Benzeneacetic acid, .alpha.-bromo-, EINECS 225-477-4, DTXSID401314228, NSC 59241, Benzeneacetic acid, alpha-bromo-, DTXCID30869743, 225-477-4, 2-bromo-2-phenylacetic acid, alpha-Bromophenylacetic acid, .alpha.-Bromophenylacetic acid, BROMO-PHENYLACETIC ACID, dl-.alpha.-Bromophenylacetic acid, MFCD00004206, bromo(phenyl)aceticacid, bromo (phenyl)aceticacid, bromo-phenyl-acetic acid, bromo (phenyl)acetic acid, alpha-bromphenylacetic acid, Bromo(phenyl)acetic acid #, alpha-bromophenyl acetic acid, SCHEMBL234580, SCHEMBL6963982, a-Bromophenylacetic acid, Pract., alpha-bromo-alpha-phenylacetic acid, alpha-Bromophenylacetic acid, 98%, NSC59241, NSC-59241, SBB007654, STL191471, AKOS005067634, DB-020592, B0984, NS00015781, ST50828086, EN300-110722

Bromo(phenyl)acetic acid is widely used as a precursor for synthesizing chiral auxiliaries, nonsteroidal anti-inflammatory drugs (NSAIDs), and agrochemicals. Its reactive α-bromo group facilitates stereoselective transformations in peptide mimetics and bioactive molecule development. Researchers employ it in palladium-catalyzed cross-coupling reactions or as a building block for heterocyclic compounds. Suitable for controlled-environment handling due to its moderate stability under inert conditions.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• STOT SE 3 (95.2%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.