Description

2,2-Difluoroethyl (4-methylphenyl)sulphonate (CAS No. 135206-84-7) is a high-purity sulfonate ester compound with the molecular formula C₉H₁₀F₂O₃S. This specialized chemical, also known as 2,2-difluoroethyl 4-methylbenzenesulfonate, is widely utilized in organic synthesis and pharmaceutical research due to its reactive sulfonate group and difluoroethyl moiety. Its precise structure and high stability make it an ideal candidate for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for advanced fluorinated intermediates. Our product is rigorously tested for purity and consistency, ensuring optimal performance in sensitive applications. Suitable for laboratory and industrial-scale use, it is supplied with comprehensive analytical data (including NMR, HPLC, and MS) to meet the stringent requirements of researchers and process chemists.

Properties

• CAS Number: 135206-84-7
• Complexity: 276
• IUPAC Name: 2,2-difluoroethyl 4-methylbenzenesulfonate
• InChI: InChI=1S/C9H10F2O3S/c1-7-2-4-8(5-3-7)15(12,13)14-6-9(10)11/h2-5,9H,6H2,1H3
• InChI Key: ZUBSOOAAXYCXMN-UHFFFAOYSA-N
• Exact Mass: 236.03187167
• Molecular Formula: C9H10F2O3S
• Molecular Weight: 236.24
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)F
• Topological: 51.8
• Monoisotopic Mass: 236.03187167
• Synonyms: 2,2-Difluoroethyl (4-methylphenyl)sulphonate, 809-947-1, 135206-84-7, 2,2-Difluoroethyl p-toluenesulfonate, 2,2-difluoroethyl 4-methylbenzenesulfonate, 2,2-Difluoroethyl tosylate, MFCD04038284, Ethanol, 2,2-difluoro-,1-(4-methylbenzenesulfonate), C9H10F2O3S, 2,2-Difluoroethyl toluene-4-sulphonate, 2,2-Difluoroethyltosylate, 2,2-difluoroethyl 4-methylbenzene-1-sulfonate, SCHEMBL336511, DTXSID00382030, SBB098588, AKOS015840425, CS-W018381, 2,2-difluoroethyl4-methylbenzenesulfonate, PS-10678, SY185063, DB-042277, EN300-71278, W18217

Application

2,2-Difluoroethyl (4-methylphenyl)sulphonate serves as a versatile building block in the synthesis of fluorinated organic compounds, particularly in pharmaceutical and agrochemical development. It is commonly employed in nucleophilic substitution reactions to introduce the difluoroethyl group into target molecules. Researchers also utilize it as a sulfonating agent in the preparation of sulfonamide derivatives and other sulfonate esters. Its stability and reactivity make it valuable for exploring novel fluorinated scaffolds in medicinal chemistry.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

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