Description

3-Fluoro-5-(trifluoromethyl)benzaldehyde (CAS No. 188815-30-7) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₈H₄F₄O. This compound is characterized by its unique trifluoromethyl and fluorine substitutions on the benzene ring, which enhance its reactivity and utility in advanced organic synthesis. Ideal for pharmaceutical intermediates, agrochemical research, and material science applications, this benzaldehyde derivative offers exceptional electrophilic properties for nucleophilic addition reactions. Available in rigorously tested batches with ≥98% purity (GC), it is supplied in amber glass vials under inert gas to ensure stability. Suitable for use in Suzuki couplings, Grignard reactions, and as a precursor for fluorinated liquid crystals or OLED materials.

Properties

• CAS Number: 188815-30-7
• Complexity: 189
• IUPAC Name: 3-fluoro-5-(trifluoromethyl)benzaldehyde
• InChI: InChI=1S/C8H4F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H
• InChI Key: UZZYXZWSOWQPIS-UHFFFAOYSA-N
• Exact Mass: 192.01982740
• Molecular Formula: C8H4F4O
• Molecular Weight: 192.11
• SMILES: C1=C(C=C(C=C1C(F)(F)F)F)C=O
• Topological: 17.1
• Monoisotopic Mass: 192.01982740
• Synonyms: 3-Fluoro-5-(trifluoromethyl)benzaldehyde, 188815-30-7, DTXSID80345582, DTXCID70296655, 625-512-7, uzzyxzwsowqpis-uhfffaoysa-n, Benzaldehyde, 3-fluoro-5-(trifluoromethyl)-, MFCD00061312, 3-fluoro-5-trifluoromethylbenzaldehyde, SCHEMBL478113, SCHEMBL2139979, 3-fluoro-5-trifluromethylbenzaldehyde, SBB063638, AKOS005255061, AB02438, AC-3852, CS-W015823, PS-8340, 3-fluoro-5-trifluoromethyl benzaldehyde, 3-fluoro-5-trifluoromethyl-benzaldehyde, 5-fluoro-3-(trifluoromethyl)benzaldehyde, SY018434, 3-fluoranyl-5-(trifluoromethyl)benzaldehyde, F0774, ST50827046, 3-Fluoro-5-(trifluoromethyl)benzaldehyde, 97%, EN300-114195, A813273, Z1203162012

Application

3-Fluoro-5-(trifluoromethyl)benzaldehyde serves as a key building block in the synthesis of fluorinated pharmaceuticals, particularly for CNS-targeting molecules due to its enhanced blood-brain barrier permeability. It is employed in cross-coupling reactions to create trifluoromethyl-substituted biphenyl scaffolds for agrochemical active ingredients. Researchers also utilize this compound to develop novel fluorinated liquid crystals for advanced display technologies.

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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