Description

3-Bromo-5-fluorobenzoic acid (CAS No. 176548-70-2) is a high-purity aromatic carboxylic acid derivative, featuring both bromo and fluoro substituents on the benzene ring. This compound, with the molecular formula C₇H₄BrFO₂, is a versatile building block in organic synthesis and pharmaceutical research. Its IUPAC name, 3-bromo-5-fluorobenzoic acid, reflects its precise structural configuration, making it ideal for controlled reactions. Available in various quantities, this product is rigorously tested for purity and consistency, ensuring reliable performance in sensitive applications. Suitable for researchers and industrial scientists, it is packaged under optimal conditions to maintain stability and shelf life.

Properties

• CAS Number: 176548-70-2
• Complexity: 163
• IUPAC Name: 3-bromo-5-fluoro-benzoic acid
• InChI: InChI=1S/C7H4BrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
• InChI Key: KLSLJMGWUPAQGZ-UHFFFAOYSA-N
• Exact Mass: 217.93787
• Molecular Formula: C7H4BrFO2
• Molecular Weight: 219.01
• SMILES: C1=C(C=C(C=C1F)Br)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 217.93787
• Synonyms: 3-Bromo-5-fluorobenzoic acid, 176548-70-2, DTXSID10378388, DTXCID50329415, 630-282-6, Benzoic acid, 3-bromo-5-fluoro-, 5-bromo-3-fluorobenzoic acid, MFCD01569540, 3-fluoro-5-bromobenzoic acid, 3-Bromo-5-fluorobenzoicacid, 3-bromo-5-fluoro-benzoic Acid, 5-FLUORO-3-BROMOBENZOIC ACID, 3-bromo-5-fluoro benzoic acid, SCHEMBL560207, KLSLJMGWUPAQGZ-UHFFFAOYSA-N, SBB063441, AKOS005255018, AB09246, AC-3910, CS-W002790, PS-7899, NCGC00341565-01, SY016894, 3-Bromo-5-fluorobenzoic acid, AldrichCPR, DB-023780, DB-024238, B3782, EN300-39998, AB01333654-02, Z406678876

Application

3-Bromo-5-fluorobenzoic acid is widely used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Its reactive bromo and fluoro groups make it valuable for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. Researchers also employ it in the development of bioactive compounds and fluorinated aromatic scaffolds. Additionally, it serves as a precursor for liquid crystals and advanced polymers.

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 (88.9%): 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. 2A (100%)
• STOT SE 3 (88.9%)

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