Description

2-Chloro-4-fluoro-5-nitrobenzoic Acid (CAS No. 114776-15-7) is a high-purity, nitro-substituted benzoic acid derivative designed for advanced research and industrial applications. With the molecular formula C₇H₃ClFNO₄, this compound features a unique combination of chloro, fluoro, and nitro functional groups, making it a versatile intermediate in organic synthesis, pharmaceutical development, and agrochemical research. Its high reactivity and structural specificity enable precise modifications in complex molecular frameworks.

This product is rigorously tested to ensure ≥98% purity (HPLC/GC), with stringent quality control for consistency in research outcomes. Available in quantities ranging from milligrams to kilograms, it is packaged under inert conditions to maintain stability. Ideal for scientists requiring reliable building blocks for heterocyclic chemistry, cross-coupling reactions, or drug discovery.

Properties

• CAS Number: 114776-15-7
• Complexity: 257
• IUPAC Name: 2-chloro-4-fluoro-5-nitro-benzoic acid
• InChI: InChI=1S/C7H3ClFNO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
• InChI Key: SYZKAFCPWNFONG-UHFFFAOYSA-N
• Exact Mass: 218.9734634
• Molecular Formula: C7H3ClFNO4
• Molecular Weight: 219.55
• SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O
• Topological: 83.1
• Monoisotopic Mass: 218.9734634
• Synonyms: 2-Chloro-4-fluoro-5-nitrobenzoic acid, 114776-15-7, DTXSID10428413, DTXCID40379247, 630-233-9, Benzoic acid, 2-chloro-4-fluoro-5-nitro-, 2-chloro-4-fluoro-5-nitro-benzoic Acid, MFCD04115715, 2-Chloro-4-fluoro-5-nitrobenzoicacid, SCHEMBL1014802, SYZKAFCPWNFONG-UHFFFAOYSA-N, CS-D1754, SBB095828, AKOS009486809, AB20456, AC-24327, AS-16038, SY022696, DB-006050, C2446, EN300-84119, Benzoic acid, 2-?chloro-?4-?fluoro-?5-?nitro-, Z424800636

2-Chloro-4-fluoro-5-nitrobenzoic Acid serves as a key intermediate in synthesizing fluorinated pharmaceuticals and agrochemicals. Its reactive nitro group facilitates further functionalization via reduction or substitution, while the chloro and fluoro substituents enhance electrophilic properties for cross-coupling reactions. Researchers utilize it in developing active pharmaceutical ingredients (APIs) and as a precursor for fluorescent dyes or advanced materials.

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 (75%): 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 (75%)

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