Description

(Trifluoromethoxy)benzene (CAS: 456-55-3) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₅F₃O, widely used in advanced chemical synthesis and pharmaceutical research. This specialty chemical features a trifluoromethoxy (-OCF₃) group bonded to a benzene ring, conferring unique electronic and steric properties ideal for modifying reactivity in organofluorine chemistry. With 99% purity, it is rigorously tested via GC/MS and NMR to ensure compliance with research-grade standards. Its low nucleophilicity and high thermal stability make it valuable for constructing complex molecular architectures, including agrochemicals, liquid crystals, and bioactive intermediates. Packaged under inert gas in amber glass bottles to prevent degradation, it is suitable for use in Suzuki couplings, cross-coupling reactions, and as a building block in medicinal chemistry. Available in quantities from 1g to 1kg, with custom bulk options.

Properties

• CAS Number: 456-55-3
• Complexity: 115
• IUPAC Name: trifluoromethoxybenzene
• InChI: InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
• InChI Key: GQHWSLKNULCZGI-UHFFFAOYSA-N
• Exact Mass: 162.02924926
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.11
• SMILES: C1=CC=C(C=C1)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 162.02924926
• Synonyms: (Trifluoromethoxy)benzene, 456-55-3, Benzene, (trifluoromethoxy)-, EINECS 207-269-5, DTXSID4060028, DTXCID2040440, 207-269-5, Trifluoromethoxybenzene, Phenyl trifluoromethyl ether, alpha,alpha,alpha-Trifluoroanisole, MFCD00040832, 1-(trifluoromethoxy)benzene, trifluorophenoxymethane, a,a,a-Trifluoroanisole, trifluoromethoxy-benzene, p-trifluoromethoxybenzene, (trifluoromethoxy)-benzene, trifluoromethyl phenyl ether, SCHEMBL8685, SCHEMBL41971, SCHEMBL80520, SCHEMBL168125, SCHEMBL1005873, SCHEMBL9956819, ZN7LB36Z85, (Trifluoromethoxy)benzene, 99%, CHEMBL4646410, GQHWSLKNULCZGI-UHFFFAOYSA-, SBB087565, AKOS000121056, CS-W010868, FT64645, AC-13596, PS-11743, DB-024087, DB-024355, NS00043599, ST50405138, T1617, EN300-21764, D92493, Q18631950, F0001-1239, alpha,alpha,alpha-Trifluoroanisole; 1-(trifluoromethoxy)benzene, InChI=1/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H

(Trifluoromethoxy)benzene serves as a key intermediate in pharmaceutical synthesis, particularly for introducing trifluoromethoxy groups into drug candidates to enhance metabolic stability. It is employed in material science for developing fluorinated polymers with improved chemical resistance. Researchers also utilize it in agrochemical production to create herbicides and pesticides with selective activity. Its role in liquid crystal formulations benefits display technologies due to its polarizability and thermal robustness.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (93.8%): 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. 2 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (93.8%)

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