Description

1,2,4,5-Tetrafluoro-3-nitrobenzene (CAS No. 6257-03-0) is a highly fluorinated nitroaromatic compound with the molecular formula C₆HF₄NO₂. This specialty chemical is characterized by its electron-deficient aromatic ring system, making it a valuable intermediate in organic synthesis and material science. The compound is supplied as a high-purity crystalline solid, ensuring consistency for demanding applications in pharmaceuticals, agrochemicals, and advanced material development. Its unique fluorination pattern enhances reactivity in nucleophilic aromatic substitution (S_NAr) reactions, while the nitro group serves as a versatile handle for further functionalization. Strict quality control measures are implemented to guarantee batch-to-batch reproducibility, with analytical data (including HPLC, GC-MS, and ¹⁹F NMR) available upon request.

Properties

• CAS Number: 6257-03-0
• Complexity: 195
• IUPAC Name: 1,2,4,5-tetrafluoro-3-nitro-benzene
• InChI: InChI=1S/C6HF4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
• InChI Key: YLNJZWIHZRLYRI-UHFFFAOYSA-N
• Exact Mass: 194.99434092
• Molecular Formula: C6HF4NO2
• Molecular Weight: 195.07
• SMILES: C1=C(C(=C(C(=C1F)F)[N+](=O)[O-])F)F
• Topological: 45.8
• Monoisotopic Mass: 194.99434092
• Synonyms: 1,2,4,5-Tetrafluoro-3-nitrobenzene, 6257-03-0, DTXSID80340799, DTXCID50291880, 841-279-6, 2,3,5,6-Tetrafluoronitrobenzene, MFCD02093333, 1,2,4,5-Tetrafluoro-3-nitro-benzene, Benzene, 1,2,4,5-tetrafluoro-3-nitro-, SCHEMBL1994831, SCHEMBL2348134, 1,2,4,5-tetrafluoronitrobenzene, YLNJZWIHZRLYRI-UHFFFAOYSA-N, SBB064466, AKOS006229433, AC-9723, 1,2,4,5-Tetrafluoro-3-nitrobenzene #, DS-18168, SY239145, DB-008116, CS-0108937, EN300-6490783

1,2,4,5-Tetrafluoro-3-nitrobenzene serves as a key precursor in the synthesis of fluorinated liquid crystals for display technologies. The compound’s electron-withdrawing groups facilitate the preparation of pharmaceutical intermediates through selective nucleophilic displacement reactions. Researchers utilize this material to develop novel fluorinated polymers with enhanced thermal and chemical resistance. In agrochemical research, it functions as a building block for creating bioactive molecules with improved environmental persistence.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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