Description

3-(Trifluoromethoxy)benzaldehyde (CAS: 52771-21-8) is a high-purity fluorinated aromatic aldehyde widely used in pharmaceutical, agrochemical, and materials science research. This compound, with the molecular formula C₈H₅F₃O₂, features a trifluoromethoxy (-OCF₃) group at the meta position of the benzaldehyde ring, enhancing its reactivity and utility in organic synthesis. Ideal for nucleophilic additions, reductive aminations, and as a key intermediate in the synthesis of bioactive molecules, it is available in ≥95% purity with rigorous QC testing to ensure consistency. Packaged under inert gas to prevent degradation, this reagent is suited for advanced laboratory applications.

Properties

• CAS Number: 52771-21-8
• Complexity: 179
• IUPAC Name: 3-(trifluoromethoxy)benzaldehyde
• InChI: InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-5H
• InChI Key: FQEVHRCPXFKJHF-UHFFFAOYSA-N
• Exact Mass: 190.02416388
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.12
• SMILES: C1=CC(=CC(=C1)OC(F)(F)F)C=O
• Topological: 26.3
• Monoisotopic Mass: 190.02416388
• Synonyms: 3-(Trifluoromethoxy)benzaldehyde, 52771-21-8, DTXSID60345520, DTXCID10296593, 627-575-6, fqevhrcpxfkjhf-uhfffaoysa-n, 3-trifluoromethoxybenzaldehyde, 50823-91-1, Trifluoromethoxybenzaldehyde2, MFCD00042406, m-trifluoromethoxybenzaldehyde, m-(trifluoromethoxy)benzaldehyde, Benzaldehyde, 3-(trifluoromethoxy)-, 3trifluoromethoxybenzaldehyde, SCHEMBL68710, SCHEMBL99250, 3-trifluormethoxy-benzaldehyde, 3-trifluoromethoxy-benzaldehyde, CHEMBL4462159, SCHEMBL25370813, 3-(trifluoromethyloxy)benzaldehyde, ALBB-005993, SBB006601, STK503656, AKOS005171623, 3-(Trifluoromethoxy)benzaldehyde, 95%, AC-3864, CS-W019515, PS-8384, SY021814, DB-024108, DB-071261, EN300-68232, A829247, F0001-1361, Z1089905960

3-(Trifluoromethoxy)benzaldehyde is a versatile building block in medicinal chemistry for synthesizing trifluoromethoxy-substituted analogs of drug candidates. It serves as a precursor in the development of liquid crystals and OLED materials due to its electron-withdrawing properties. The compound is also employed in agrochemical research for creating novel pesticides and herbicides with enhanced stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): 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 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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