Description

5-Bromo-2-chlorobenzoic acid (CAS No. 21739-92-4) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₄BrClO₂. This crystalline compound is widely utilized as a versatile building block in organic synthesis, pharmaceutical research, and material science applications. With a molecular weight of 235.46 g/mol, it offers excellent reactivity for further functionalization at the aromatic ring. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers to maintain stability. Ideal for Suzuki couplings, esterifications, and amide formations, this reagent is a staple in medicinal chemistry for developing bioactive molecules. Available in gram to kilogram quantities with optional custom purity grades.

Properties

• CAS Number: 21739-92-4
• Complexity: 163
• IUPAC Name: 5-bromo-2-chloro-benzoic acid
• InChI: InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
• InChI Key: FGERXQWKKIVFQG-UHFFFAOYSA-N
• Exact Mass: 233.90832
• Molecular Formula: C7H4BrClO2
• Molecular Weight: 235.46
• SMILES: C1=CC(=C(C=C1Br)C(=O)O)Cl
• Topological: 37.3
• Monoisotopic Mass: 233.90832
• Synonyms: 5-Bromo-2-chlorobenzoic acid, 21739-92-4, Benzoic acid, 5-bromo-2-chloro-, DTXSID40176132, EINECS 244-558-5, DTXCID6098623, 244-558-5, 2-Chloro-5-bromobenzoic acid, MFCD00002415, 5-Bromo-2-Chloro benzoic acid, 5-bromo-2-chloro-benzoic acid, MFK3MYA2FZ, 5-bromo-2-chorobenzoic acid, SCHEMBL18214, BCP07097, SBB063089, 5-Bromo-2-chlorobenzoic acid, 98%, AKOS000119557, AC-3906, CS-W012888, FB64184, PS-7656, NCGC00338868-01, SY001457, DB-023823, B1344, NS00026955, ST50308565, EN300-20497, AB01331421-02, F2191-0036, Z104478416, InChI=1/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11

Application

5-Bromo-2-chlorobenzoic acid serves as a key intermediate in pharmaceutical synthesis, particularly for non-steroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors. Its dual halogen substitution pattern enables selective cross-coupling reactions in palladium-catalyzed transformations. Researchers employ this compound as a precursor for liquid crystal materials and agrochemical active ingredients. The carboxyl group allows easy conversion to acyl chlorides or esters for further derivatization.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (96.2%)

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