Description

5-Bromo-2-fluorobenzoic acid (CAS No. 146328-85-0) is a high-purity halogenated benzoic acid derivative widely used in pharmaceutical, agrochemical, and material science research. With the molecular formula C₇H₄BrFO₂, this compound serves as a versatile building block for synthesizing complex molecules due to its reactive bromo and fluoro substituents. It is available in >97% purity, ensuring optimal performance in coupling reactions, cross-coupling methodologies, and ligand synthesis. Packaged under inert conditions to maintain stability, this product is ideal for researchers requiring precise and reliable intermediates for drug discovery, catalysis, and specialty chemical development.

Properties

• CAS Number: 146328-85-0
• Complexity: 163
• IUPAC Name: 5-bromo-2-fluoro-benzoic acid
• InChI: InChI=1S/C7H4BrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
• InChI Key: PEXAZYDITWXYNJ-UHFFFAOYSA-N
• Exact Mass: 217.93787
• Molecular Formula: C7H4BrFO2
• Molecular Weight: 219.01
• SMILES: C1=CC(=C(C=C1Br)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 217.93787
• Synonyms: 5-Bromo-2-fluorobenzoic acid, 146328-85-0, DTXSID20371269, DTXCID30322303, 604-519-9, 630-182-2, 5-bromo-2-fluoro-benzoic Acid, 2-fluoro-5-bromobenzoic acid, Benzoic acid, 5-bromo-2-fluoro-, MFCD00143423, 3-bromo-6-fluorobenzoic acid, SCHEMBL2554, 5-Bromo-2-fluorobenzoicacid, SBB063448, 5-Bromo-2-fluorobenzoic acid, 97%, AKOS001309986, AB03871, AC-3912, CS-W008695, FB36909, PS-7897, SB33710, SY010172, DB-023743, DB-253357, B2974, NS00124318, EN300-15128, Z104510340

5-Bromo-2-fluorobenzoic acid is primarily employed as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and agrochemicals. Its halogenated structure facilitates Suzuki-Miyaura and Buchwald-Hartwig cross-coupling reactions, enabling the construction of biaryl scaffolds. Researchers also utilize it to develop fluorinated liquid crystals and advanced polymeric materials. The compound’s compatibility with organometallic catalysts makes it valuable for exploratory medicinal chemistry and material science applications.

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