Description

2,4,5-Trifluorobenzoyl chloride (CAS No. 88419-56-1) is a high-purity fluorinated benzoyl chloride derivative with the molecular formula C₇H₂ClF₃O. This reactive aromatic acyl chloride is a versatile building block in organic synthesis, particularly for the introduction of the 2,4,5-trifluorobenzoyl moiety. The compound features excellent reactivity for nucleophilic substitution reactions due to the electron-withdrawing effects of the fluorine atoms. Supplied as a clear to pale yellow liquid, it is moisture-sensitive and should be stored under inert conditions. Ideal for pharmaceutical intermediates, agrochemical synthesis, and advanced material development. Purity is guaranteed by rigorous QC including GC-MS and NMR analysis.

Properties

• CAS Number: 88419-56-1
• Complexity: 187
• IUPAC Name: 2,4,5-trifluorobenzoyl chloride
• InChI: InChI=1S/C7H2ClF3O/c8-7(12)3-1-5(10)6(11)2-4(3)9/h1-2H
• InChI Key: STBGCAUUOPNJBH-UHFFFAOYSA-N
• Exact Mass: 193.9746269
• Molecular Formula: C7H2ClF3O
• Molecular Weight: 194.54
• SMILES: C1=C(C(=CC(=C1F)F)F)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 193.9746269
• Synonyms: 2,4,5-Trifluorobenzoyl chloride, 88419-56-1, STBGCAUUOPNJBH-UHFFFAOYSA-, DTXSID00237036, DTXCID00159527, 626-182-7, inchi=1/c7h2clf3o/c8-7(12)3-1-5(10)6(11)2-4(3)9/h1-2h, stbgcauuopnjbh-uhfffaoysa-n, 2,4,5-trifluorobenzoylchloride, Benzoyl chloride, 2,4,5-trifluoro-, MFCD00061204, SCHEMBL457385, 2,4,5-trifluorobenzoyl-chloride, 2,4,5-tri-fluorobenzoyl chloride, SBB006657, AKOS000281059, 2,4,5-tris(fluoranyl)benzoyl chloride, 2,4,5-Trifluorobenzoyl chloride, 97%, PS-10693, T1653, A842578

Application

2,4,5-Trifluorobenzoyl chloride is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly for fluorinated active ingredients. It serves as a precursor for amide and ester formation in medicinal chemistry applications. The compound is also employed in the production of liquid crystal materials and specialty polymers. Its reactivity makes it valuable for constructing complex fluorinated aromatic systems in agrochemicals.

Safety and Hazards

GHS Hazard Statements

• H314 (55.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317 (44.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (45.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1C (55.4%)
• Skin Sens. 1 (44.6%)
• Eye Dam. 1 (45.8%)

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