Description

4-Fluoro-3-nitrobenzoic acid (CAS No. 453-71-4) is a high-purity aromatic carboxylic acid derivative with the molecular formula C₇H₄FNO₄. This compound features a fluorine substituent at the para position and a nitro group at the meta position relative to the carboxylic acid functionality, making it a versatile building block for organic synthesis and pharmaceutical research. Its crystalline form ensures consistent reactivity, and it is rigorously tested for purity (typically ≥98% by HPLC or GC analysis) to meet the demands of advanced chemical applications. Ideal for use in Suzuki couplings, amidation reactions, and as a precursor for fluorinated heterocycles, this reagent is packaged under inert conditions to guarantee stability. Available in quantities ranging from grams to kilograms, it is suitable for both laboratory-scale experiments and industrial-scale production.

Properties

• CAS Number: 453-71-4
• Complexity: 227
• IUPAC Name: 4-fluoro-3-nitro-benzoic acid
• InChI: InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
• InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N
• Exact Mass: 185.01243577
• Molecular Formula: C7H4FNO4
• Molecular Weight: 185.11
• SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F
• Topological: 83.1
• Monoisotopic Mass: 185.01243577
• Synonyms: 4-Fluoro-3-nitrobenzoic acid, 453-71-4, 3-Nitro-4-fluorobenzoic acid, Benzoic acid, 4-fluoro-3-nitro-, p-Fluoro-3-nitrobenzoic acid, NSC 10311, 4XU69FAU2V, EINECS 207-221-3, NSC-10311, DTXSID30196465, DTXCID40118956, 207-221-3, bojwtaqwpvbipg-uhfffaoysa-n, inchi=1/c7h4fno4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3h,(h,10,11, MFCD00007058, 4-Fluoro-3-nitrobenzoicacid, 4-Fluoro-3-nitro-benzoic acid, NSC10311, UNII-4XU69FAU2V, 3-nitro-4-flurobenzoic acid, SCHEMBL24994, 4-fluoro-5-nitrobenzoic acid, 4-carboxy-2-nitrofluorobenzene, 3-nitro-4-fluoro benzoic acid, 3-nitro-4-fluoro-benzoic acid, 4-fluoro-3-nitro benzoic acid, BBL010573, SBB008336, STK498478, 4-Fluoro-3-nitrobenzoic acid, 98%, AKOS000283434, AB00828, AC-3149, CS-W008650, FF23392, AS-10821, SY004060, DB-024068, F0399, NS00043544, ST50826979, EN300-18726, Z89284934

Application

4-Fluoro-3-nitrobenzoic acid is widely employed as a key intermediate in the synthesis of fluorinated pharmaceuticals, agrochemicals, and specialty materials. Its electron-withdrawing nitro and fluorine groups enhance reactivity in nucleophilic aromatic substitution (SNAr) reactions, facilitating the creation of complex aromatic scaffolds. Researchers also utilize it to develop fluorescent probes and bioactive molecules targeting enzyme inhibition. In material science, it serves as a monomer for designing high-performance polymers with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (83%): 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 (97.9%): 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 (83%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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