Description

2-Fluoro-5-(trifluoromethyl)benzaldehyde (CAS No. 146137-78-2) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₈H₄F₄O. This compound is a valuable building block in organic synthesis, particularly in pharmaceutical, agrochemical, and material science research. Its unique structure, featuring both fluorine and trifluoromethyl groups, enhances reactivity and stability, making it ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for heterocyclic compounds. Available in >98% purity (GC), it is supplied in sealed containers under inert gas to ensure stability and longevity. Suitable for use in advanced research, process development, and high-throughput screening applications.

Properties

• CAS Number: 146137-78-2
• Complexity: 189
• IUPAC Name: 2-fluoro-5-(trifluoromethyl)benzaldehyde
• InChI: InChI=1S/C8H4F4O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
• InChI Key: IDLNLGMUINCSGS-UHFFFAOYSA-N
• Exact Mass: 192.01982740
• Molecular Formula: C8H4F4O
• Molecular Weight: 192.11
• SMILES: C1=CC(=C(C=C1C(F)(F)F)C=O)F
• Topological: 17.1
• Monoisotopic Mass: 192.01982740
• Synonyms: 2-Fluoro-5-(trifluoromethyl)benzaldehyde, 146137-78-2, DTXSID30370566, DTXCID00321601, 626-370-9, 2-fluoro-5-trifluoromethylbenzaldehyde, Benzaldehyde, 2-fluoro-5-(trifluoromethyl)-, MFCD00061311, 2-fluoro-5-(trifluoromethyl) benzaldehyde, 2-Fluoro-5-trifluoromethyl-benzaldehyde, SCHEMBL269221, SCHEMBL483405, ALPHA,ALPHA,ALPHA,6-TETRAFLUORO-M-TOLUALDEHYDE, BBL028088, SBB064035, STK802610, AKOS005063925, AC-2814, CS-W010712, DS-11306, SY003030, 2-fluoranyl-5-(trifluoromethyl)benzaldehyde, DB-011026, F0289, ST50826746, EN300-76464, 2-Fluoro-5-(trifluoromethyl)benzaldehyde, 97%, A808458, Z1160901778

Application

2-Fluoro-5-(trifluoromethyl)benzaldehyde is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing groups make it highly reactive in palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. Researchers also utilize it in the development of liquid crystals, OLED materials, and specialty polymers due to its ability to modify electronic properties. Additionally, it serves as a precursor for bioactive molecules in medicinal chemistry, particularly in the design of enzyme inhibitors and receptor modulators.

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 (98%): 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 (98%)

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