Description

3-Bromo-5-iodobenzoic acid (CAS No. 188815-32-9) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₄BrIO₂. This compound is a valuable synthetic intermediate for pharmaceutical, agrochemical, and materials science research, featuring both bromo and iodo substituents on the aromatic ring for versatile functionalization. Its carboxyl group enables further derivatization via esterification, amidation, or coupling reactions. Supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), it is ideal for cross-coupling reactions (e.g., Suzuki, Sonogashira) and metal-catalyzed transformations. Packaged under inert gas to ensure stability, this product is rigorously tested by GC/MS and ¹H NMR to meet stringent research standards. Store at 2-8°C in a tightly sealed container to prevent degradation.

Properties

• CAS Number: 188815-32-9
• Complexity: 163
• IUPAC Name: 3-bromo-5-iodo-benzoic acid
• InChI: InChI=1S/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
• InChI Key: MKJBJYCBKXPQSY-UHFFFAOYSA-N
• Exact Mass: 325.84394
• Molecular Formula: C7H4BrIO2
• Molecular Weight: 326.91
• SMILES: C1=C(C=C(C=C1Br)I)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 325.84394
• Synonyms: 3-Bromo-5-iodobenzoic acid, 188815-32-9, DTXSID90409240, DTXCID20360092, 606-154-0, Benzoic acid, 3-bromo-5-iodo-, 3-Bromo-5-IodobenzoicAcid, MFCD00191851, 5-bromo-3-iodobenzoic acid, 3-bromo-5-iodo-benzoic Acid, 3-bromo-5-iodobenzoic aicd, 3-bromo-5-iodo benzoic acid, 5-iodo-3-bromo-benzoic acid, SCHEMBL200827, 3-Bromo-5-iodobenzoic acid, 97%, SBB063057, Benzoic acid, 3-?bromo-?5-?iodo-, AKOS005256962, AB04625, AC-3914, CS-W011977, FB12532, PS-7026, SY008050, DB-008836, B1807, NS00123479, ST51007238, EN300-110298, Z1269214487, InChI=1/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11

Application

3-Bromo-5-iodobenzoic acid serves as a key building block in medicinal chemistry for the synthesis of bioactive molecules, particularly in developing kinase inhibitors and PET radiotracers. Its dual halogen functionality allows sequential cross-coupling to construct complex biaryl scaffolds in materials science. Researchers also utilize it as a precursor for liquid crystal intermediates and supramolecular architectures due to its rigid aromatic core and orthogonal reactivity.

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 (97.8%): 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 (97.8%)

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