Description

o-(Trifluoromethyl)benzaldehyde (CAS No. 447-61-0) is a high-purity aromatic aldehyde with the molecular formula C₈H₅F₃O. This compound, also known as 2-(trifluoromethyl)benzaldehyde, features a reactive aldehyde group ortho to a trifluoromethyl substituent, making it a versatile building block in synthetic organic chemistry. Its unique electronic and steric properties are ideal for applications in pharmaceuticals, agrochemicals, and advanced material synthesis. Available in >98% purity (GC), this product is rigorously tested for quality and consistency, ensuring optimal performance in demanding research and industrial processes. Packaged under inert gas to maintain stability, it is supplied in amber glass bottles or custom bulk quantities to suit your needs.

Properties

• CAS Number: 447-61-0
• Complexity: 164
• IUPAC Name: 2-(trifluoromethyl)benzaldehyde
• InChI: InChI=1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H
• InChI Key: ZDVRPKUWYQVVDX-UHFFFAOYSA-N
• Exact Mass: 174.02924926
• Molecular Formula: C8H5F3O
• Molecular Weight: 174.12
• SMILES: C1=CC=C(C(=C1)C=O)C(F)(F)F
• Topological: 17.1
• Monoisotopic Mass: 174.02924926
• Synonyms: 2-(Trifluoromethyl)benzaldehyde, 447-61-0, o-(Trifluoromethyl)benzaldehyde, Benzaldehyde, 2-(trifluoromethyl)-, EINECS 207-185-9, DTXSID40196279, EC 207-185-9, DTXCID00118770, 207-185-9, 2-Trifluoromethylbenzaldehyde, 2-(trifluoromethyl)-benzaldehyde, o-trifluoromethylbenzaldehyde, MFCD00003337, alpha,alpha,alpha-Trifluoro-o-tolualdehyde, trifluoromethylbenzaldehyde, o-trifluoromethyl benzaldehyde, o-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-, A,A,A-TRIFLUORO-O-TOLUALDEHYDE, 2-trifluoromethyibenzaldehyde, SCHEMBL67207, SCHEMBL96903, 2-trifluoromethyl-benzaldehyde, Integrase inhibitor, R2{5}, 2-Trifluoromethyl benzaldehyde, CHEMBL4549081, SCHEMBL28826887, BDBM93344, ortho(trifluoromethyl)benzaldehyde, 2-(trifluoromethyl) -benzaldehyde, WQVKQXWKOXNFEH-UHFFFAOYSA-N, ortho-(trifluoromethyl)benzaldehyde, SBB040211, 2-(Trifluoromethyl)benzaldehyde, 98%, AKOS000119868, AC-2901, CS-W009016, PS-8633, SY003300, DB-024048, NS00005334, ST50213360, T1281, EN300-20098, .alpha.,.alpha.,.alpha.-Trifluoro-o-tolualdehyde, A826680, F2191-0140, Z104476826, alpha,alpha,alpha-Trifluoro-o-tolualdehyde;2-trifluoromethylbenzaldehyde, InChI=1/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5

Application

o-(Trifluoromethyl)benzaldehyde is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and anti-inflammatory agents. Its electron-withdrawing trifluoromethyl group enhances reactivity in nucleophilic aromatic substitution and cross-coupling reactions. Researchers also employ it to develop liquid crystals and agrochemicals due to its ability to modulate molecular polarity and stability. The compound’s ortho-substitution pattern is particularly valuable for constructing sterically hindered architectures in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (11.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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