Description

2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate (CAS No. 565-42-4) is a high-purity fluorinated sulfonate ester with the molecular formula C₁₀H₉F₅O₃S. This specialized chemical is widely utilized in organic synthesis, particularly as a fluorinated alkylating agent or intermediate in the preparation of advanced materials and pharmaceuticals. Its unique pentafluoropropyl group enhances reactivity and stability, making it valuable for introducing fluorinated moieties into target molecules. The compound is supplied as a clear, colorless to pale yellow liquid with strict quality control to ensure consistency for research and industrial applications. Store under inert conditions to maintain stability.

Properties

• CAS Number: 565-42-4
• Complexity: 390
• IUPAC Name: 2,2,3,3,3-pentafluoropropyl 4-methylbenzenesulfonate
• InChI: InChI=1S/C10H9F5O3S/c1-7-2-4-8(5-3-7)19(16,17)18-6-9(11,12)10(13,14)15/h2-5H,6H2,1H3
• InChI Key: JBHQQXONFHOEQU-UHFFFAOYSA-N
• Exact Mass: 304.01925613
• Molecular Formula: C10H9F5O3S
• Molecular Weight: 304.24
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C(F)(F)F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 304.01925613
• Synonyms: 2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate, 678-463-9, 565-42-4, 2,2,3,3,3-pentafluoropropyl 4-methylbenzenesulfonate, 1H,1H-Pentafluoropropyl p-toluenesulfonate, 2,2,3,3,3-Pentafluoropropyl Tosylate, 2,2,3,3,3-pentafluoropropyl 4-methylbenzene-1-sulfonate, 4-methylbenzenesulfonic acid 2,2,3,3,3-pentafluoropropyl ester, MFCD02093346, C10H9F5O3S, SCHEMBL2533175, DTXSID40379767, AKOS027327443, AS-69048, 1H,1H-Perfluoropropyl 4-toluenesulphonate, DB-052933, CS-0206180, NS00019141, P1834, D92163, 2,2,3,3,3-pentafluoropropyl-p-toluenesulfonate, EN300-7165615, 2,2,3,3,3-pentafluoropropyl4-methylbenzenesulfonate, 2,2,3,3,3-Pentafluoroprop-1-yl toluene-4-sulphonate, p-Toluenesulfonic Acid 2,2,3,3,3-Pentafluoropropyl Ester

Application

2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate is commonly employed as a key fluorinated building block in organic synthesis, particularly for introducing pentafluoropropyl groups into nucleophiles. It finds use in pharmaceutical research for the development of fluorinated analogs with enhanced metabolic stability and bioavailability. Additionally, this compound is utilized in materials science for modifying surfaces or polymers to impart fluorophilic properties. Its reactivity as a sulfonate ester makes it suitable for cross-coupling reactions and other transformations under mild conditions.

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]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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