Description

4-Nitro-2-(trifluoromethyl)anisole (CAS No. 654-76-2) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₆F₃NO₃. This specialty chemical, also known by its IUPAC name 1-methoxy-4-nitro-2-(trifluoromethyl)benzene, is a valuable building block in synthetic organic chemistry and pharmaceutical research. The compound features a nitro group and a trifluoromethyl group on a methoxy-substituted benzene ring, making it particularly useful for electrophilic aromatic substitution reactions and as a precursor for more complex fluorinated molecules.

Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal for researchers developing novel agrochemicals, pharmaceuticals, or liquid crystals, this compound offers excellent solubility in common organic solvents like DMSO, ethanol, and dichloromethane. Available in quantities from grams to kilograms to meet both lab-scale and pilot-plant needs.

Properties

• CAS Number: 654-76-2
• Complexity: 238
• IUPAC Name: 1-methoxy-4-nitro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3
• InChI Key: KGFADEJSZXEVMC-UHFFFAOYSA-N
• Exact Mass: 221.02997754
• Molecular Formula: C8H6F3NO3
• Molecular Weight: 221.13
• SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
• Topological: 55.1
• Monoisotopic Mass: 221.02997754
• Synonyms: 4-Nitro-2-(trifluoromethyl)anisole, EINECS 211-507-3, DTXSID40215712, NSC 88331, DTXCID70138203, 211-507-3, 2-Methoxy-5-nitrobenzotrifluoride, 654-76-2, 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene, 5-Nitro-2-methoxybenzotrifluoride, MFCD00007328, Benzene, 1-methoxy-4-nitro-2-(trifluoromethyl)-, 1-Methoxy-4-nitro-2-trifluoromethyl-benzene, NSC88331, NCIOpen2_005268, SCHEMBL1494244, 2-methoxy-5-nitro-benzotrifluoride, NSC-88331, SBB058354, STK149391, AKOS003293419, AC-4148, CS-W014743, Anisole, 4-nitro-2-(trifluoromethyl)-, 4-methoxy-3-trifluoromethyl-nitrobenzene, 1-Methoxy4-nitro-2-trifluoromethylbenzene, 1-Methoxy-4-nitro-2-trifluoromethylbenzene, DB-054817, NS00042274, ST45021211, EN300-20414, 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene #

Application

4-Nitro-2-(trifluoromethyl)anisole serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Researchers utilize its reactive nitro group for subsequent reduction to amines or conversion to other functional groups. The trifluoromethyl moiety enhances lipophilicity and metabolic stability in drug discovery. This compound is particularly valuable in developing herbicides and fungicides where the CF₃ group improves biological activity.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• Eye Dam. 1 (95.1%)

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