Description

2-Bromo-4-chlorobenzoic acid (CAS No. 936-08-3) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₄BrClO₂. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both bromo and chloro substituents on the aromatic ring, makes it a valuable intermediate for cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings. The carboxylic acid functionality further enhances its utility for derivatization or metal coordination. Available in >98% purity (HPLC), this product is rigorously tested for consistency and supplied in secure, chemically resistant packaging. Ideal for researchers requiring precise halogenated aromatic scaffolds.

Properties

• CAS Number: 936-08-3
• Complexity: 163
• IUPAC Name: 2-bromo-4-chloro-benzoic acid
• InChI: InChI=1S/C7H4BrClO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
• InChI Key: USMQLFCVCDEXAK-UHFFFAOYSA-N
• Exact Mass: 233.90832
• Molecular Formula: C7H4BrClO2
• Molecular Weight: 235.46
• SMILES: C1=CC(=C(C=C1Cl)Br)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 233.90832
• Synonyms: 2-Bromo-4-chlorobenzoic acid, 936-08-3, DTXSID00275019, DTXCID20226467, 627-328-2, 2-bromo-4-chloro-benzoic Acid, MFCD00672930, 2-Bromo-4-chlorobenzoicacid, Benzoic acid, 2-bromo-4-chloro-, 4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid, 4-chloro-2-bromobenzoic acid, p-chloro(bromo)benzoic acid, 2-Bromo-4chlorobenzoic acid, 2-Bromo-4-chloro-benzoicacid, SCHEMBL395189, SCHEMBL11810626, BCP15958, BBL101359, SBB063375, STL555155, 2-Bromo-4-chlorobenzoic acid, 97%, AKOS005215803, AC-3903, CS-W002662, FB38481, PB48319, PS-7660, BP-20255, SY016936, DB-024287, A4668, B4592, EN300-98064, Z1269165449, 2-bromo-4-chlorobenzoic acid/4-bromo-2-chlorobenzoic acid, 4-bromo-2-chlobenzoic acid/ 2-bromo-4-chlorobenzoic acid

Application

2-Bromo-4-chlorobenzoic acid serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. It is particularly valuable in constructing complex molecules through palladium-catalyzed coupling reactions. Researchers utilize this compound in medicinal chemistry for structure-activity relationship (SAR) studies due to its halogenated aromatic core. The carboxylic acid group allows for further functionalization via esterification or amidation reactions. Its dual halogen substitution pattern enables selective sequential derivatization in multi-step syntheses.

Safety and Hazards

GHS Hazard Statements

• H301 (93.3%): Toxic if swallowed [Danger 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 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (91.1%): 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 (93.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)
• Aquatic Acute 1 (91.1%)

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