Description

4-(Trifluoromethoxy)toluene (CAS No. 706-27-4) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₇F₃O. Also known as 1-methyl-4-(trifluoromethoxy)benzene, this specialty chemical features a toluene backbone substituted with a trifluoromethoxy group at the para position, enhancing its stability and reactivity for advanced synthetic applications. Ideal for researchers and industrial scientists, our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, light-resistant containers to maintain integrity. Suitable for use as a building block in pharmaceuticals, agrochemicals, and material science, it offers exceptional compatibility with cross-coupling reactions and electrophilic substitutions. Available in quantities from grams to bulk orders, with customizable packaging options.

Properties

• CAS Number: 706-27-4
• Complexity: 136
• IUPAC Name: 1-methyl-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C8H7F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3
• InChI Key: JUXFXYQUXNXVAA-UHFFFAOYSA-N
• Exact Mass: 176.04489933
• Molecular Formula: C8H7F3O
• Molecular Weight: 176.14
• SMILES: CC1=CC=C(C=C1)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 176.04489933
• Synonyms: 4-(Trifluoromethoxy)toluene, 624-597-8, 706-27-4, 1-Methyl-4-(trifluoromethoxy)benzene, 4-Trifluoromethoxytoluene, 4-TOLUENE TRIFLUOROMETHYL ETHER, MFCD00042413, Benzene, 1-methyl-4-(trifluoromethoxy)-, 4-METHYLTRIFLUOROMETHOXYBENZENE, SCHEMBL91415, SCHEMBL97453, SCHEMBL193403, SCHEMBL1068745, SCHEMBL2097243, trifluoro(4-methylphenoxy)methane, DTXSID10375271, GINZSFKNCKIGSV-UHFFFAOYSA-N, IYHXULGNMRRUMK-UHFFFAOYSA-N, 4-(Trifluoromethoxy)toluene, 98%, CL9411, SBB089124, AKOS015852987, AC-13864, AS-46338, SY017702, DB-024222, CS-0081166, T2454, EN300-141820, 1-Methyl-4-(trifluoromethoxy)benzene, 4-Methyl-alpha,alpha,alpha-trifluoroanisole

Application

4-(Trifluoromethoxy)toluene serves as a versatile intermediate in organic synthesis, particularly in the development of fluorinated pharmaceuticals and agrochemicals. Its trifluoromethoxy group enhances metabolic stability, making it valuable in drug discovery for CNS-targeting compounds. The compound is also employed in material science for synthesizing liquid crystals and specialty polymers with unique thermal properties.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.8%): 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 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)

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