Description

2,4,5-Trifluorobenzyl Chloride (CAS No. 243139-71-1) is a high-purity fluorinated organic compound with the molecular formula C₇H₄ClF₃. This versatile reagent is widely used in pharmaceutical, agrochemical, and materials science research due to its reactive chloromethyl group and trifluorinated aromatic ring. The compound is supplied as a clear to pale yellow liquid with a molecular weight of 188.56 g/mol and a boiling point of approximately 180-182°C. It is moisture-sensitive and should be stored under inert atmosphere at 2-8°C. Our product undergoes rigorous QC testing including GC analysis (typically ≥98% purity) and is packaged in amber glass bottles with secure closures to ensure stability. Ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for more complex fluorinated compounds.

Properties

• CAS Number: 243139-71-1
• Complexity: 131
• IUPAC Name: 1-(chloromethyl)-2,4,5-trifluoro-benzene
• InChI: InChI=1S/C7H4ClF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
• InChI Key: JMXPOOVDUVHJRO-UHFFFAOYSA-N
• Exact Mass: 179.9953623
• Molecular Formula: C7H4ClF3
• Molecular Weight: 180.55
• SMILES: C1=C(C(=CC(=C1F)F)F)CCl
• Monoisotopic Mass: 179.9953623
• Synonyms: 2,4,5-Trifluorobenzyl chloride, 243139-71-1, 1-(chloromethyl)-2,4,5-trifluorobenzene, DTXSID00380359, DTXCID40331385, 671-774-0, 2,4,5-trifluorobenzylchloride, Benzene, 1-(chloromethyl)-2,4,5-trifluoro-, MFCD00236319, 2,4,5–Trifluorobenzyl Chloride, alpha-Chloro-2,4,5-trifluorotoluene, 1-Chloromethyl-2,4,5-trifluoro-benzene, YY3PHA6AYT, 1-(chloromethyl)-2,4,5-trifluoro-benzene, SCHEMBL724623, SBB089718, AKOS006228974, AC-9757, PS-10631, ST51039994, T2889, A22534, EN300-330653

Application

2,4,5-Trifluorobenzyl Chloride serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly in the development of fluorinated drug candidates. The compound is valuable for introducing trifluorobenzyl groups into molecules through nucleophilic substitution reactions. Researchers utilize it in material science to create specialized fluorinated polymers with unique properties. Its reactivity makes it suitable for palladium-catalyzed cross-coupling reactions in medicinal chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (16.7%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (16.7%)

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