Description

4-Chloro-2-fluoro-5-nitrobenzoic acid (CAS No. 35112-05-1) is a high-purity aromatic carboxylic acid derivative designed for advanced chemical synthesis and pharmaceutical research. With the molecular formula C₇H₃ClFNO₄, this compound features a benzoic acid backbone substituted with chloro, fluoro, and nitro functional groups, offering versatile reactivity for heterocyclic and medicinal chemistry applications. Its precise structure (IUPAC name: 4-chloro-2-fluoro-5-nitrobenzoic acid) ensures consistent performance in nucleophilic substitution reactions, Suzuki couplings, and as a precursor for agrochemical or drug intermediates. Packaged under inert conditions to maintain stability, this product is ideal for researchers requiring reliable building blocks for complex molecule construction. Available in quantities from grams to kilograms, with optional custom purity grades upon request.

Properties

• CAS Number: 35112-05-1
• Complexity: 257
• IUPAC Name: 4-chloro-2-fluoro-5-nitro-benzoic acid
• InChI: InChI=1S/C7H3ClFNO4/c8-4-2-5(9)3(7(11)12)1-6(4)10(13)14/h1-2H,(H,11,12)
• InChI Key: KAONECPATVTFST-UHFFFAOYSA-N
• Exact Mass: 218.9734634
• Molecular Formula: C7H3ClFNO4
• Molecular Weight: 219.55
• SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)C(=O)O
• Topological: 83.1
• Monoisotopic Mass: 218.9734634
• Synonyms: 4-chloro-2-fluoro-5-nitrobenzoic acid, 35112-05-1, DTXSID40396252, DTXCID70347111, 630-011-1, 4-chloro-2-fluoro-5-nitro-benzoic Acid, MFCD04115725, 4-Chloro-2-fluoro-5-nitrobenzoicacid, Benzoic acid, 4-chloro-2-fluoro-5-nitro-, 2-Fluoro-4-chloro-5-nitrobenzoic acid, SCHEMBL241760, KAONECPATVTFST-UHFFFAOYSA-N, BCP11442, SBB095827, AKOS009486981, AB20475, CS-W003187, DS-14293, FC105577, SY005009, DB-013581

Application

4-Chloro-2-fluoro-5-nitrobenzoic acid serves as a key intermediate in the synthesis of herbicides, pharmaceuticals, and specialty dyes. Its electron-withdrawing substituents enhance reactivity in palladium-catalyzed cross-coupling reactions, making it valuable for constructing biaryl compounds. Researchers also utilize it to develop fluorinated analogs of bioactive molecules for metabolic stability studies. The nitro group facilitates further functionalization via reduction to amines or conversion to heterocycles.

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 (100%): 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 (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.