Description

2,4-Dinitro(trifluoromethoxy)benzene (CAS No. 655-07-2) is a high-purity aromatic compound with the molecular formula C₇H₃F₃N₂O₅. This specialty chemical features a benzene ring substituted with two nitro groups at the 2- and 4-positions and a trifluoromethoxy group at the 1-position, offering unique reactivity for electrophilic aromatic substitution and nucleophilic displacement reactions. With a molecular weight of 252.11 g/mol, it is commonly utilized as a key intermediate in pharmaceutical synthesis, agrochemical production, and materials science research. The compound is supplied as a crystalline solid with >98% purity (HPLC), ensuring consistency for demanding applications. Proper handling is required due to its nitroaromatic properties – store in a cool, dry place away from ignition sources.

Properties

• CAS Number: 655-07-2
• Complexity: 310
• IUPAC Name: 2,4-dinitro-1-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H3F3N2O5/c8-7(9,10)17-6-2-1-4(11(13)14)3-5(6)12(15)16/h1-3H
• InChI Key: KYUUZCUXYXNPFO-UHFFFAOYSA-N
• Exact Mass: 251.99940569
• Molecular Formula: C7H3F3N2O5
• Molecular Weight: 252.10
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(F)(F)F
• Topological: 101
• Monoisotopic Mass: 251.99940569
• Synonyms: 2,4-Dinitro(trifluoromethoxy)benzene, 642-475-2, 2,4-Dinitro-1-(trifluoromethoxy)benzene, 655-07-2, MFCD00042268, 2,4-dinitro-1-trifluoromethoxy-benzene, 2,4-dinitrotrifluoromethoxybenzene, SCHEMBL397137, DTXSID40371862, SBB064046, a,a,a-Trifluoro-2,4-dinitro-anisole, 2,4-dinitro (trifluoromethoxy)benzene, AKOS015833309, PS-10424, CS-0088049, ST50826443, 2,4-Dinitro-1-(trifluoromethoxy)benzene, 97%, D74665, 2,4-dinitro-1-(trifluoromethoxy)benzene, 2,4-dinitro trifluoroanisole

Application

2,4-Dinitro(trifluoromethoxy)benzene serves as a versatile building block in synthetic organic chemistry, particularly for developing fluorinated pharmaceutical compounds. Researchers employ this intermediate in nucleophilic aromatic substitution reactions to create novel heterocycles with potential biological activity. The electron-withdrawing trifluoromethoxy group enhances reactivity in cross-coupling reactions for material science applications. It has shown utility as a precursor in the synthesis of specialty dyes and energetic materials.

Safety and Hazards

GHS Hazard Statements

• H300 (97.8%): Fatal if swallowed [Danger Acute toxicity, oral]
• H311 (13%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H413 (84.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P262, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 2 (97.8%)
• Acute Tox. 3 (13%)
• Skin Corr. 1B (97.8%)
• Aquatic Chronic 4 (84.8%)

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