Description

4-Fluoro-2-nitrobenzoic acid (CAS No. 394-01-4) is a high-purity aromatic carboxylic acid derivative with the molecular formula C₇H₄FNO₄. This compound features a fluorine substituent at the 4-position and a nitro group at the 2-position of the benzoic acid ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is 4-fluoro-2-nitrobenzoic acid, and it is characterized by its pale yellow crystalline appearance. With a molecular weight of 185.11 g/mol, this reagent is ideal for use in nucleophilic substitution reactions, coupling reactions, and as a building block for more complex chemical entities. Suitable for laboratory and industrial use, it is supplied with detailed analytical certificates (including HPLC, GC, and NMR) to ensure consistency and reliability for sensitive applications.

Properties

• CAS Number: 394-01-4
• Complexity: 227
• IUPAC Name: 4-fluoro-2-nitro-benzoic acid
• InChI: InChI=1S/C7H4FNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
• InChI Key: YLUCXHMYRQUERW-UHFFFAOYSA-N
• Exact Mass: 185.01243577
• Molecular Formula: C7H4FNO4
• Molecular Weight: 185.11
• SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O
• Topological: 83.1
• Monoisotopic Mass: 185.01243577
• Synonyms: 4-Fluoro-2-nitrobenzoic acid, 394-01-4, EINECS 206-890-9, DTXSID50192585, DTXCID90115076, 206-890-9, 2-nitro-4-fluorobenzoic acid, 4-fluoro-2-nitrobenzoicacid, benzoic acid, 4-fluoro-2-nitro-, MFCD00024300, 4-Fluoro-2-nitro-benzoic acid, XLA7LVL3HK, 4-Fluor-2-nitro-benzoesaure, SCHEMBL404750, 4-fluoro-2-nitro benzoic acid, CL4116, SBB028508, 2-Nitro-4-fluoro benzoic acid,98%, 4-Fluoro-2-nitrobenzoic acid, 98%, AKOS005255363, AB01435, AC-3985, CS-W002147, FF70787, AS-14488, SY007436, DB-049410, F0737, NS00043137, ST50827339, EN300-104066

Application

4-Fluoro-2-nitrobenzoic acid is widely utilized as a key precursor in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive nitro and carboxyl groups enable its use in the development of fluorinated aromatic compounds, which are critical in drug discovery and material science. Researchers employ this compound in the preparation of dyes, ligands, and advanced intermediates for medicinal chemistry. Additionally, it serves as a fluorinated building block in the synthesis of bioactive molecules and fine chemicals.

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 (90%): 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 (90%)

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