Description

1-Nitro-2,5-bis(trifluoromethyl)benzene (CAS No. 320-88-7) is a high-purity aromatic compound with the molecular formula C₈H₃F₆NO₂, widely utilized in advanced chemical research and industrial applications. This specialized nitro-substituted benzene derivative features two trifluoromethyl groups at the 2 and 5 positions, offering exceptional reactivity and stability for electrophilic substitutions and fluorinated intermediate synthesis. Its unique structural properties make it invaluable in pharmaceuticals, agrochemicals, and materials science, particularly in the development of fluorinated organic compounds. Available in rigorously controlled batches (≥98% purity by GC), this product is supplied in amber glass vials to ensure stability and longevity. Suitable for laboratory-scale experiments and pilot-scale processes, it is accompanied by comprehensive analytical documentation (MSDS, NMR, HPLC) to meet regulatory and quality assurance standards.

Properties

• CAS Number: 320-88-7
• Complexity: 294
• IUPAC Name: 2-nitro-1,4-bis(trifluoromethyl)benzene
• InChI: InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)15(16)17/h1-3H
• InChI Key: BZKVUOHHNCMTLH-UHFFFAOYSA-N
• Exact Mass: 259.00679731
• Molecular Formula: C8H3F6NO2
• Molecular Weight: 259.10
• SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F
• Topological: 45.8
• Monoisotopic Mass: 259.00679731
• Synonyms: 1-Nitro-2,5-bis(trifluoromethyl)benzene, 670-630-4, 2,5-Bis(trifluoromethyl)nitrobenzene, 320-88-7, 2-nitro-1,4-bis(trifluoromethyl)benzene, 1,4-bis(trifluoromethyl)-2-nitrobenzene, MFCD00236674, Benzene, 2-nitro-1,4-bis(trifluoromethyl)-, 2,5-bistrifluoromethylnitrobenzene, 2-Nitro-1,4-bis(trifluoromethyl)benzene; 1,4-Bis(trifluoromethyl)-2-nitrobenzene; 2,5-Bis(trifluoromethyl)nitrobenzene; alpha,alpha’-Hexafluoro-2-nitro-p-xylene, 2-Nitro-1,4-bis-trifluoromethyl-benzene, SCHEMBL1995690, DTXSID10370100, SBB064001, AKOS003587359, CS-W014074, DS-14270, SY017102, 2-nitro-1,4-bis(trifluoromethyl) benzene, DB-048153, A5774, B2546, ST51041522

1-Nitro-2,5-bis(trifluoromethyl)benzene serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals due to its electron-withdrawing nitro and trifluoromethyl groups. It is employed in cross-coupling reactions to create complex aromatic systems for drug discovery and material science applications. Researchers also utilize it as a precursor for advanced liquid crystals and specialty polymers requiring high thermal and chemical resistance.

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 (50%): 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 (50%)

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