Description

2-(Trifluoromethoxy)benzaldehyde (CAS No. 94651-33-9) is a high-purity aromatic aldehyde featuring a trifluoromethoxy substituent at the ortho position of the benzaldehyde ring. This compound, with the molecular formula C₈H₅F₃O₂, is a versatile building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. Its unique trifluoromethoxy group enhances electron-withdrawing properties, making it valuable for designing bioactive molecules and advanced intermediates. Available in >98% purity (GC), this product is rigorously tested for quality, stability, and consistency, ensuring optimal performance in sensitive applications. Suitable for researchers and industrial scientists seeking reliable fluorinated precursors.

Properties

• CAS Number: 94651-33-9
• Complexity: 179
• IUPAC Name: 2-(trifluoromethoxy)benzaldehyde
• InChI: InChI=1S/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H
• InChI Key: CPHXLFKIUVVIOQ-UHFFFAOYSA-N
• Exact Mass: 190.02416388
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.12
• SMILES: C1=CC=C(C(=C1)C=O)OC(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 190.02416388
• Synonyms: 2-(Trifluoromethoxy)benzaldehyde, 94651-33-9, DTXSID60915383, DTXCID601344358, 627-011-9, 2-trifluoromethoxybenzaldehyde, 4-Trifluoromethoxy, MFCD00042405, o-(trifluoromethoxy)benzaldehyde, SCHEMBL96814, SCHEMBL96815, (trifluoromethoxy)benzaldehyde, 2-trifluoromethoxy benzaldehyde, 2-trifluoromethoxy-benzaldehyde, SCHEMBL7474654, CHEMBL4536848, 2-[(trifluoromethyl)oxy]benzaldehyde, SBB063390, STK801541, AKOS001284212, 2-(Trifluoromethoxy)benzaldehyde, 96%, AC-3863, CS-W015915, FT64094, PS-8385, DB-019547, T2302, EN300-23837, F2191-0159, Z166606586

Application

2-(Trifluoromethoxy)benzaldehyde is widely used as a key intermediate in pharmaceutical synthesis, particularly for compounds targeting CNS and anti-inflammatory pathways. Its trifluoromethoxy group is leveraged in agrochemical research to enhance pesticide and herbicide efficacy. The aldehyde functionality also enables condensation reactions for heterocyclic compound development, including quinazolines and benzimidazoles.

Safety and Hazards

GHS Hazard Statements

• H315 (92.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (90.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (92.2%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (90.2%)

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