Description

4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1) is a high-purity organic compound with the molecular formula C₇H₄BrNO₄, widely utilized in pharmaceutical, agrochemical, and materials science research. This aromatic carboxylic acid derivative features a bromo and nitro functional group at the 4- and 2-positions, respectively, making it a versatile intermediate for synthesis and derivatization. With a purity of ≥97%, our product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure consistency and reliability for demanding applications. Suitable for use as a building block in heterocyclic chemistry, cross-coupling reactions, and ligand design, it is supplied as a crystalline solid with excellent shelf stability under recommended storage conditions (2-8°C, inert atmosphere). Available in scalable quantities with custom packaging options.

Properties

• CAS Number: 99277-71-1
• Complexity: 227
• IUPAC Name: 4-bromo-2-nitro-benzoic acid
• InChI: InChI=1S/C7H4BrNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
• InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-N
• Exact Mass: 244.93237
• Molecular Formula: C7H4BrNO4
• Molecular Weight: 246.01
• SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])C(=O)O
• Topological: 83.1
• Monoisotopic Mass: 244.93237
• Synonyms: 4-Bromo-2-nitrobenzoic acid, 99277-71-1, DTXSID20396250, DTXCID00347109, 627-797-3, 4-Bromo-2-nitrobenzoic acid, MFCD01013599, 4-bromo-2-nitro-benzoic Acid, Benzoic acid, 4-bromo-2-nitro-, SCHEMBL132963, F9995-0102, ZIRHHEZLJGORGU-UHFFFAOYSA-N, 4-Bromo-2-nitrobenzoic acid, 97%, SBB059067, AKOS015835481, AKOS034830327, AC-3919, CS-W002727, FB11109, HY-W002727, PS-3572, DB-032291, B3810, ST50826939, EN300-99720, VU0549290-1

4-Bromo-2-nitrobenzoic acid serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its reactive bromo and nitro groups facilitate Suzuki-Miyaura coupling and nucleophilic substitution reactions. Researchers employ it in the development of dyes, corrosion inhibitors, and non-linear optical materials. The compound is also used in proteomics and structural biology studies as a derivatization agent for mass spectrometry.

Safety and Hazards

GHS Hazard Statements

• H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (83%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (83%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.1%)
• Skin Irrit. 2 (97.9%)
• Skin Sens. 1 (83%)
• Eye Irrit. 2 (97.9%)
• STOT SE 3 (95.7%)
• Aquatic Acute 1 (83%)

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