Description

3-(Trifluoromethyl)anisole (CAS No. 454-90-0) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₇F₃O. Also known as 1-methoxy-3-(trifluoromethyl)benzene, this specialty chemical is widely utilized in pharmaceutical, agrochemical, and material science research due to its unique trifluoromethyl and methoxy functional groups. Our product is rigorously tested to ensure >98% purity (GC), with stringent quality control for moisture, residual solvents, and heavy metals. Supplied in amber glass bottles under inert gas to prevent degradation, it is ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for advanced materials. Available in quantities from 1g to 1kg with customizable packaging for industrial-scale applications.

Properties

• CAS Number: 454-90-0
• Complexity: 144
• IUPAC Name: 1-methoxy-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
• InChI Key: XHONYVFDZSPELQ-UHFFFAOYSA-N
• Exact Mass: 176.04489933
• Molecular Formula: C8H7F3O
• Molecular Weight: 176.14
• SMILES: COC1=CC=CC(=C1)C(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 176.04489933
• Synonyms: 3-(Trifluoromethyl)anisole, 454-90-0, 1-methoxy-3-(trifluoromethyl)benzene, EINECS 207-229-7, DTXSID60196498, NSC 86566, DTXCID70118989, 207-229-7, inchi=1/c8h7f3o/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5h,1h, 3-methoxybenzotrifluoride, 3-Trifluoromethylanisole, Benzene, 1-methoxy-3-(trifluoromethyl)-, 3-methoxy-1-(trifluoromethyl)benzene, NSC86566, MFCD00000385, 3-trifluoromethylanisol, m-(Trifluoromethyl)anisole, SCHEMBL96299, m-trifluoromethylmethoxybenzene, SCHEMBL160639, SCHEMBL160761, SCHEMBL167016, SCHEMBL535445, SCHEMBL753971, SCHEMBL13322164, BCOVTDDPFJYXDS-UHFFFAOYSA-N, NSC-86566, SBB089131, AKOS006223894, PS-8586, BP-12852, Methyl 3-(trifluoromethyl)phenyl ether #, DB-030876, CS-0085462, M2243, NS00043510, ST50406514

Application

3-(Trifluoromethyl)anisole serves as a key intermediate in the synthesis of pharmaceuticals, particularly for introducing trifluoromethyl groups into bioactive molecules. It is employed in agrochemical research to develop herbicides and pesticides with enhanced metabolic stability. The compound also finds use in liquid crystal and polymer chemistry due to its electron-withdrawing properties and aromatic stability.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (87.5%)
• Eye Irrit. 2A (87.5%)
• STOT SE 3 (75%)

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