Description

2,3,4,5-Tetrafluoronitrobenzene (CAS No. 5580-79-0) is a highly fluorinated nitrobenzene derivative with the molecular formula C₆HF₄NO₂. This compound, also known by its IUPAC name 1,2,3,4-tetrafluoro-5-nitrobenzene, is a versatile fluorinated aromatic building block widely used in organic synthesis, pharmaceuticals, and agrochemical research. Its unique structure, featuring four fluorine atoms and a nitro group on a benzene ring, makes it an excellent intermediate for nucleophilic aromatic substitution reactions and other transformations.

With a purity of ≥98%, our 2,3,4,5-Tetrafluoronitrobenzene is supplied as a crystalline solid, ensuring consistent performance in demanding applications. It is particularly valuable in the synthesis of fluorinated pharmaceuticals, liquid crystals, and advanced materials. Proper handling is essential due to its reactivity—store in a cool, dry place away from incompatible substances.

Properties

• CAS Number: 5580-79-0
• Complexity: 209
• IUPAC Name: 1,2,3,4-tetrafluoro-5-nitro-benzene
• InChI: InChI=1S/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
• InChI Key: MKMDVNZEIQDZEP-UHFFFAOYSA-N
• Exact Mass: 194.99434092
• Molecular Formula: C6HF4NO2
• Molecular Weight: 195.07
• SMILES: C1=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 194.99434092
• Synonyms: 2,3,4,5-Tetrafluoronitrobenzene, 5580-79-0, 1,2,3,4-Tetrafluoro-5-nitrobenzene, 3N9SSF4I6Q, EINECS 226-972-8, NSC-96618, 5-Nitro-1,2,3,4-tetrafluorobenzene, UNII-3N9SSF4I6Q, Benzene, 1,2,3,4-tetrafluoro-5-nitro-, DTXSID20204386, NSC 96618, DTXCID20126877, 226-972-8, mkmdvnzeiqdzep-uhfffaoysa-n, 2,3,4,5-tetrafluoro-1-nitrobenzene, 1-nitro-2,3,4,5-tetrafluorobenzene, 2,3,4,5-Tetrafluoro-1-nitrobenzene; 1,2,3,4-Tetrafluoro-5-nitrobenzene; 5-Nitro-1,2,3,4-tetrafluorobenzene; NSC 96618;, NSC96618, MFCD00014686, SCHEMBL57954, SCHEMBL144000, CL8231, SBB063654, AKOS005255399, AC-9722, CS-W010631, 1,2,3,4-Tetrafluoro-5-nitrobenzene #, 2,3,4,5-Tetrafluoronitrobenzene, 99%, AS-46002, DB-030755, NS00044247, ST51036729, A20698, EN300-129043, 4-fluro-3-nitrobenzoic acid;Benzene, 1,2,3,4-tetrafluoro-5-nitro-;1,2,3,4-Tetrafluoro-5-nitrobenzene

Application

2,3,4,5-Tetrafluoronitrobenzene is a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals, where its nitro and fluorine groups enable precise structural modifications. It is also used in materials science for developing fluorinated liquid crystals and polymers with enhanced thermal and chemical stability. Researchers leverage its reactivity in nucleophilic aromatic substitution reactions to create complex fluorinated aromatic compounds for advanced applications.

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. 2 (100%)
• STOT SE 3 (100%)

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