Description

2,6-Difluoro-3-nitrobenzoic acid (CAS No. 83141-10-0) is a high-purity fluorinated nitrobenzoic acid derivative with the molecular formula C₇H₃F₂NO₄. This compound is characterized by its aromatic ring substituted with two fluorine atoms at the 2- and 6-positions and a nitro group at the 3-position, alongside a carboxylic acid functional group. It is a valuable building block in organic synthesis, particularly for pharmaceutical intermediates, agrochemicals, and specialty materials. Available in >98% purity (HPLC), it is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Ideal for researchers in medicinal chemistry and material science, this product is packaged under inert conditions to guarantee stability and longevity.

Properties

• CAS Number: 83141-10-0
• Complexity: 255
• IUPAC Name: 2,6-difluoro-3-nitro-benzoic acid
• InChI: InChI=1S/C7H3F2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)
• InChI Key: PDDHSNODMFIIRV-UHFFFAOYSA-N
• Exact Mass: 203.00301390
• Molecular Formula: C7H3F2NO4
• Molecular Weight: 203.10
• SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])F)C(=O)O)F
• Topological: 83.1
• Monoisotopic Mass: 203.00301390
• Synonyms: 2,6-difluoro-3-nitrobenzoic acid, DTXSID80307160, DTXCID60258287, 630-114-1, 83141-10-0, 2,6-difluro-3-nitrobenzoic acid, 2,6-difluoro-3-nitro-benzoic acid, MFCD00119291, 2,6-DIFLUORO-3-NITROBENZOICACID, Benzoic acid, 2,6-difluoro-3-nitro-, NSC190311, SCHEMBL633629, 3-Nitro-2,6-difluorobenzoic acid, 2,6-difluoro-3-nitro benzoic acid, ALBB-006613, BCP26713, STK504033, AKOS000266265, AB03492, CS-W001228, NSC-190311, AC-26041, AS-18560, SY018898, D5138, ST50949298, EN300-101239

Application

2,6-Difluoro-3-nitrobenzoic acid is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for fluorinated drug candidates. Its nitro and carboxylic acid groups enable versatile functionalization, making it suitable for cross-coupling reactions and heterocycle formation. Researchers also employ it in the development of agrochemicals and liquid crystal materials due to its electron-withdrawing properties and aromatic stability. Its fluorinated structure enhances bioavailability and metabolic resistance in drug design.

Safety and Hazards

GHS Hazard Statements

• H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (60%): 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 (80%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (60%)

If you are interested or have any questions, please contact us at support@atomfair.com

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