Description

3-Fluoro-4-nitrobenzoic acid (CAS No. 403-21-4) is a high-purity fluorinated nitrobenzoic acid derivative widely utilized in pharmaceutical synthesis, agrochemical research, and advanced material development. With the molecular formula C₇H₄FNO₄ and a molecular weight of 185.11 g/mol, this compound features a fluorine atom at the 3-position and a nitro group at the 4-position of the benzoic acid ring, enabling versatile reactivity in electrophilic aromatic substitution and nucleophilic displacement reactions. Available as a crystalline powder with ≥98% purity (HPLC), it is ideal for coupling reactions, peptide modifications, and as a precursor for fluorescent probes. Packaged under inert gas in amber glass vials to ensure stability, this product is rigorously tested for trace metals (<10 ppm) and residual solvents to meet stringent research standards.

Properties

• CAS Number: 403-21-4
• Complexity: 227
• IUPAC Name: 3-fluoro-4-nitro-benzoic acid
• InChI: InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
• InChI Key: WVZBIQSKLXJFNX-UHFFFAOYSA-N
• Exact Mass: 185.01243577
• Molecular Formula: C7H4FNO4
• Molecular Weight: 185.11
• SMILES: C1=CC(=C(C=C1C(=O)O)F)[N+](=O)[O-]
• Topological: 83.1
• Monoisotopic Mass: 185.01243577
• Synonyms: 3-Fluoro-4-nitrobenzoic acid, 403-21-4, DTXSID60960737, DTXCID001388582, 630-059-3, 4-nitro-3-fluorobenzoic acid, 3-fluoro-4-nitrobenzenecarboxylic acid, 453-21-4, 3-Fluoro-4-nitro-benzoic acid, MFCD01862092, 3-fluoro-4-nitrobenzoicacid, Benzoic acid, 3-fluoro-4-nitro-, NSC25749, 4-Nitro-3-fluorobenzoic, 3-FLUORO-4-NITROBENZENECARBOXYLICACID, SCHEMBL6238, 3-Fluor-4-nitro-benzoesaure, 3-fluoro-4-nitroberizoic acid, 3-fluoro 4-nitro benzoic acid, 3-fluoro-4-nitro benzoic acid, 4-Nitro-3-fluoro benzoic acid, CS-D1499, BBL100714, CL4111, NSC-25749, SBB028507, STL554508, AKOS005069496, AKOS015967181, AC-2917, FF70536, 3-fluoro-4-nitrobenzene carboxylic acid, BP-13090, SY003335, 3-Fluoro-4-nitrobenzoic acid, AldrichCPR, DB-014278, F0670, EN300-64892, 11P-237, AE-562/43459377, Z995046708

3-Fluoro-4-nitrobenzoic acid serves as a key intermediate in synthesizing active pharmaceutical ingredients (APIs) with antimicrobial properties. Researchers employ it to develop fluorinated liquid crystals for optoelectronic devices due to its polarized aromatic core. In proteomics, it functions as a derivatization agent for mass spectrometry tagging. The nitro group facilitates catalytic hydrogenation to amine derivatives for agrochemical formulations.

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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