Description

5-Bromo-2-fluoro-3-nitrobenzoic acid (CAS: 1153279-80-1) is a high-purity, aromatic carboxylic acid derivative designed for advanced synthetic and pharmaceutical applications. This compound features a bromo, fluoro, and nitro functional group on the benzoic acid backbone, making it a versatile intermediate for organic synthesis, medicinal chemistry, and materials science. With a molecular formula of C₇H₃BrFNO₄, it is supplied as a fine crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial use. Ideal for Suzuki couplings, nucleophilic substitutions, and other cross-coupling reactions, this reagent is packaged under inert conditions to guarantee stability and longevity. Suitable for researchers and chemists requiring precise functionalization in heterocyclic and drug discovery projects.

Properties

• CAS Number: 1153279-80-1
• Complexity: 257
• IUPAC Name: 5-bromo-2-fluoro-3-nitro-benzoic acid
• InChI: InChI=1S/C7H3BrFNO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)
• InChI Key: SXOKSXISBYNNQM-UHFFFAOYSA-N
• Exact Mass: 262.92295
• Molecular Formula: C7H3BrFNO4
• Molecular Weight: 264.00
• SMILES: C1=C(C=C(C(=C1C(=O)O)F)[N+](=O)[O-])Br
• Topological: 83.1
• Monoisotopic Mass: 262.92295
• Synonyms: 5-Bromo-2-fluoro-3-nitrobenzoic acid, 1153279-80-1, DTXSID10626275, DTXCID80577028, 958-690-2, Benzoic acid, 5-bromo-2-fluoro-3-nitro-, MFCD12173024, SCHEMBL18342840, 5-Bromo-2-fluoro-3-nitrobenzoicacid, AKOS009486459, AS-63904, SY316802, CS-0059842, EN300-399469, W17255

5-Bromo-2-fluoro-3-nitrobenzoic acid is a key intermediate in the synthesis of pharmaceutical compounds, particularly for modifying bioactive molecules via halogen-selective reactions. It serves as a precursor in the development of agrochemicals, dyes, and specialty materials due to its reactive nitro and bromo groups. Researchers utilize this compound in Pd-catalyzed cross-coupling reactions to construct complex aromatic frameworks. Its fluorine substitution enhances metabolic stability in drug candidates, making it valuable for medicinal chemistry optimization.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (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.