Description
2-Bromo-3-iodobenzoic acid (CAS No. 855198-37-7) is a high-purity halogenated benzoic acid derivative designed for advanced research and industrial applications. With the molecular formula C7H4BrIO2, this compound serves as a versatile building block in organic synthesis, pharmaceutical development, and material science. Its unique bromo-iodo substitution pattern enables selective cross-coupling reactions, making it invaluable for Suzuki-Miyaura, Stille, and other palladium-catalyzed transformations. This product is rigorously tested for purity (typically ≥95% by HPLC) and stability, ensuring reliable performance in sensitive applications. Packaged under inert conditions to prevent degradation, it is ideal for researchers requiring precise control over reaction pathways.
Properties
- CAS Number: 855198-37-7
- Complexity: 163
- IUPAC Name: 2-bromo-3-iodo-benzoic acid
- InChI: InChI=1S/C7H4BrIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)
- InChI Key: SLQSFNIMAOUADF-UHFFFAOYSA-N
- Exact Mass: 325.84394
- Molecular Formula: C7H4BrIO2
- Molecular Weight: 326.91
- SMILES: C1=CC(=C(C(=C1)I)Br)C(=O)O
- Topological: 37.3
- Monoisotopic Mass: 325.84394
- Synonyms: 2-Bromo-3-iodobenzoic acid, 855198-37-7, DTXSID80612928, DTXCID80563683, 812-793-8, 2-BROMO-3-IODO-BENZOIC ACID, MFCD11036150, 2-Bromo-3-iodobenzoicacid, SCHEMBL11738916, CL8023, AKOS015969194, DS-11258, SY040811, DB-098547, CS-0028785
2-Bromo-3-iodobenzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and functional materials. Its halogenated structure facilitates regioselective modifications, enabling the creation of complex molecular architectures. Researchers leverage this compound in metal-catalyzed cross-coupling reactions to construct biaryl systems or heterocycles. It also finds utility in ligand design and as a precursor for bioactive molecules in drug discovery programs.
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 (100%): 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 (100%)
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