Description

1-Methoxy-4-(trifluoromethyl)benzene (CAS No. 402-52-8) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₇F₃O. This specialty chemical, also known as 4-(Trifluoromethyl)anisole, features a methoxy group and a trifluoromethyl group attached to a benzene ring, offering unique electronic and steric properties for advanced synthetic applications. It is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor, and is rigorously tested for quality (typically ≥98% purity by GC). Suitable for research and industrial use, this compound is packaged under inert gas to ensure stability and shipped with detailed technical data, including NMR, MS, and HPLC reports. Store in a cool, dry place away from oxidizing agents.

Properties

• CAS Number: 402-52-8
• Complexity: 136
• IUPAC Name: 1-methoxy-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H7F3O/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
• InChI Key: CFIPQRIPCRRISV-UHFFFAOYSA-N
• Exact Mass: 176.04489933
• Molecular Formula: C8H7F3O
• Molecular Weight: 176.14
• SMILES: COC1=CC=C(C=C1)C(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 176.04489933
• Synonyms: 1-methoxy-4-(trifluoromethyl)benzene, 672-509-1, 4-(Trifluoromethyl)anisole, 402-52-8, 4-METHOXYBENZOTRIFLUORIDE, 4-Trifluoromethylanisole, Benzene, 1-methoxy-4-(trifluoromethyl)-, MFCD03094456, 1-methoxy-4-trifluoromethyl-benzene, p-trifluoromethylanisole, 4-trifluoromethyl-anisol, 4- Trifluoromethyl anisole, SCHEMBL103539, SCHEMBL255255, SCHEMBL535527, SCHEMBL1040662, SCHEMBL9876731, DTXSID10344942, BXPKTSZAXXXEJB-UHFFFAOYSA-N, VFWITSIASOVRGA-UHFFFAOYSA-N, SBB089134, 4-methoxy-1-(trifluoromethyl)benzene, AKOS006227739, AC-3821, CS-W003005, PS-8587, Methyl 4-(trifluoromethyl)phenyl ether #, SY023182, DB-013249

Application

1-Methoxy-4-(trifluoromethyl)benzene is widely used as a versatile building block in pharmaceutical and agrochemical synthesis, particularly in the development of trifluoromethylated active ingredients. Its electron-withdrawing trifluoromethyl group enhances reactivity in cross-coupling reactions, while the methoxy group directs electrophilic substitutions. Researchers also employ it as a precursor for liquid crystals and advanced materials. In catalysis, it serves as a ligand modifier for transition metal complexes.

Safety and Hazards

GHS Hazard Statements

• H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H226 (60%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (20%): 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. 2 (20%)
• Flam. Liq. 3 (60%)
• Skin Irrit. 2 (60%)
• Eye Irrit. 2 (60%)
• STOT SE 3 (20%)

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