Description

2-Bromo-4-fluorobenzoic acid (CAS: 1006-41-3) is a high-purity aromatic carboxylic acid derivative widely utilized in pharmaceutical, agrochemical, and materials science research. With the molecular formula C₇H₄BrFO₂, this compound serves as a versatile building block for synthesizing complex organic molecules due to its reactive bromo and fluoro substituents. Its crystalline structure ensures excellent stability, making it ideal for precise applications in medicinal chemistry, ligand design, and cross-coupling reactions. Packaged under stringent quality control, our product guarantees ≥97% purity (HPLC/GC), low heavy metal content, and batch-to-batch consistency. Available in scalable quantities with detailed COA, MSDS, and spectral data (NMR, FTIR) upon request.

Properties

• CAS Number: 1006-41-3
• Complexity: 163
• IUPAC Name: 2-bromo-4-fluoro-benzoic acid
• InChI: InChI=1S/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
• InChI Key: RRKPMLZRLKTDQV-UHFFFAOYSA-N
• Exact Mass: 217.93787
• Molecular Formula: C7H4BrFO2
• Molecular Weight: 219.01
• SMILES: C1=CC(=C(C=C1F)Br)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 217.93787
• Synonyms: 2-Bromo-4-fluorobenzoic acid, 1006-41-3, RRKPMLZRLKTDQV-UHFFFAOYSA-, 600-118-8, inchi=1/c7h4brfo2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3h,(h,10,11), BENZOIC ACID, 2-BROMO-4-FLUORO-, 2-Bromo-4-fluorobenzoicacid, 14632-85-0, 4-FLUORO-2-BROMOBENZOIC ACID, MFCD00055370, 2-bromo-4-fluoro-benzoic Acid, 2-bromo-4-fluorobenzoate, SCHEMBL111637, 4-fluoro-2-bromo benzoic acid, 4-fluoro-2-bromo-benzoic acid, DTXSID00905622, SBB063576, TD1032, 2-Bromo-4-fluorobenzoic acid, 97%, AKOS001286432, AB02279, AC-3909, CS-W002266, PS-7895, NCGC00338205-01, BP-12167, SY011499, DB-005198, B2887, NS00015543, ST50306909, EN300-13701, AB01329757-02, Z104509888

2-Bromo-4-fluorobenzoic acid is primarily employed as a key intermediate in Suzuki-Miyaura and Buchwald-Hartwig couplings for drug discovery. Its halogenated aromatic core facilitates the synthesis of bioactive compounds targeting CNS disorders and oncology. Researchers also leverage its carboxyl group for peptide modifications and polymer functionalization. Suitable for high-throughput screening (HTS) and parallel synthesis workflows.

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 (97.9%): 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. 2 (100%)
• STOT SE 3 (97.9%)

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