Description

Methyl 2-(3-bromophenyl)acetate (CAS No. 150529-73-0) is a high-purity organic compound with the molecular formula C₉H₉BrO₂. This ester derivative of 3-bromophenylacetic acid is a versatile intermediate widely used in pharmaceutical, agrochemical, and material science research. Its well-defined structure, featuring a bromine substituent at the meta-position of the phenyl ring, makes it a valuable building block for Suzuki coupling reactions and other cross-coupling methodologies. Supplied as a clear to pale-yellow liquid, our product undergoes rigorous QC testing including GC, NMR, and HPLC to ensure ≥98% purity. Packaged under inert gas to enhance stability, it is available in quantities ranging from grams to kilograms to meet both lab-scale and bulk requirements.

Properties

• CAS Number: 150529-73-0
• Complexity: 159
• IUPAC Name: methyl 2-(3-bromophenyl)acetate
• InChI: InChI=1S/C9H9BrO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
• InChI Key: ULSSGHADTSRELG-UHFFFAOYSA-N
• Exact Mass: 227.97859
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.07
• SMILES: COC(=O)CC1=CC(=CC=C1)Br
• Topological: 26.3
• Monoisotopic Mass: 227.97859
• Synonyms: Methyl 2-(3-bromophenyl)acetate, 150529-73-0, Methyl 3-bromophenylacetate, DTXSID40471755, DTXCID50422571, 604-742-1, (3-Bromophenyl)acetic acid methyl ester, Benzeneacetic acid, 3-bromo-, methyl ester, 3-Bromophenylacetic acid methyl ester, MFCD06858764, Methyl (3-bromophenyl)acetate, Methyl m-bromophenylacetate, methyl 3-bromobenzeneacetate, M52JSD72XN, methyl 3-bromophenyl-acetate, methyl(3-bromophenyl)acetate, methyl-(3-bromophenyl)acetate, SCHEMBL136054, ULSSGHADTSRELG-UHFFFAOYSA-N, AB3931, BBL102372, STL556173, 3-bromophenyl acetic acid methyl ester, AKOS011268642, CS-W019829, FM46201, METHYL2-(3-BROMOPHENYL)ACETATE, PS-4897, (3-bromo-phenyl)acetic acid methyl ester, (3-Bromophenyl)-acetic acid methyl ester, SY004524, (3-Bromo-phenyl)-acetic acid methyl ester, M2804, 2-(3-Bromo-phenyl)-acetic acid methyl ester, B64617, EN300-130965, Z905185712

Application

Methyl 2-(3-bromophenyl)acetate serves as a key synthetic intermediate in the preparation of non-steroidal anti-inflammatory drugs (NSAIDs) and other bioactive molecules. Researchers utilize its bromine moiety for palladium-catalyzed cross-coupling reactions to construct biaryl systems in drug discovery. The compound also finds application in liquid crystal and polymer additive synthesis, where the ester group allows further functionalization. Its meta-substituted aromatic structure is particularly valuable for studying steric effects in molecular design.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (66.7%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2A (66.7%)
• STOT SE 3 (66.7%)

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