Description

4-Bromo-3-chlorobenzoic acid (CAS No. 25118-59-6) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₄BrClO₂. This crystalline organic compound is extensively utilized as a versatile building block in pharmaceutical synthesis, agrochemical production, and advanced material research. With a molecular weight of 235.46 g/mol, it features both bromo and chloro substituents on the aromatic ring, offering unique reactivity for cross-coupling reactions and nucleophilic substitutions. Our product is rigorously tested to meet the highest standards (≥98% purity by HPLC), ensuring optimal performance in Suzuki-Miyaura couplings, carboxylation reactions, and as a precursor for liquid crystal materials. Available in convenient packaging from gram to kilogram quantities, each batch is accompanied by comprehensive analytical documentation including ¹H NMR, HPLC chromatograms, and mass spectrometry data.

Properties

• CAS Number: 25118-59-6
• Complexity: 163
• IUPAC Name: 4-bromo-3-chloro-benzoic acid
• InChI: InChI=1S/C7H4BrClO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
• InChI Key: PSKJIHDVFDVNBU-UHFFFAOYSA-N
• Exact Mass: 233.90832
• Molecular Formula: C7H4BrClO2
• Molecular Weight: 235.46
• SMILES: C1=CC(=C(C=C1C(=O)O)Cl)Br
• Topological: 37.3
• Monoisotopic Mass: 233.90832
• Synonyms: 4-Bromo-3-chlorobenzoic acid, 25118-59-6, DTXSID50503733, DTXCID40454543, 629-075-3, Benzoic acid, 4-bromo-3-chloro-, 4-BROMO-3-CHLOROBENZOICACID, MFCD08276864, SCHEMBL177140, 4-bromo-3-chloro-benzoic acid, BCP24774, 4-bromanyl-3-chloranyl-benzoic acid, BBL100286, SBB063489, STL553853, 4-Bromo-3-chlorobenzoic acid, 97%, AKOS005258413, CS-W008636, FB10762, AC-30054, AS-11039, B3791, EN300-105786, A817655, Z1269111039

Application

4-Bromo-3-chlorobenzoic acid serves as a critical intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of non-steroidal anti-inflammatory drugs. Its bifunctional halogenation pattern enables efficient participation in palladium-catalyzed cross-coupling reactions to construct complex biaryl systems. The compound also finds application in material science as a precursor for functionalized polymers and as a derivatization agent in analytical chemistry for HPLC method development.

Safety and Hazards

GHS Hazard Statements

• H301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (85.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (87.2%)
• Skin Irrit. 2 (12.8%)
• Eye Irrit. 2 (12.8%)
• Aquatic Acute 1 (85.1%)

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.