Description

Fluoromethyl 4-methylbenzenesulfonate (CAS No. 114435-86-8) is a high-purity sulfonate ester with the molecular formula C₈H₉FO₃S. This specialized chemical is widely utilized in organic synthesis, particularly as a fluoromethylating agent for introducing the fluoromethyl group into target molecules. Its robust reactivity and stability make it an essential reagent for researchers in pharmaceuticals, agrochemicals, and material science. Available in rigorously controlled batches, our product ensures consistent performance for demanding applications. Each shipment is accompanied by comprehensive analytical data, including HPLC, NMR, and mass spectrometry reports, guaranteeing traceability and quality assurance.

Properties

• CAS Number: 114435-86-8
• Complexity: 237
• IUPAC Name: fluoromethyl 4-methylbenzenesulfonate
• InChI: InChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)13(10,11)12-6-9/h2-5H,6H2,1H3
• InChI Key: RFCGZPLGJZELOK-UHFFFAOYSA-N
• Exact Mass: 204.02564348
• Molecular Formula: C8H9FO3S
• Molecular Weight: 204.22
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCF
• Topological: 51.8
• Monoisotopic Mass: 204.02564348
• Synonyms: Fluoromethyl 4-methylbenzenesulfonate, 810-390-1, 114435-86-8, Methanol, 1-fluoro-, 1-(4-methylbenzenesulfonate), fluoromethyltosylate, MFCD20482732, fluoromethyl tosylate, fluoromethanol,4-methylbenzenesulfonic acid, SCHEMBL29927, SCHEMBL8817515, fluoromethyl toluene-4-sulfonate, RFCGZPLGJZELOK-UHFFFAOYSA-N, Fluoromethyl4-methylbenzenesulfonate, BCP28142, AKOS024260757, CS-W018988, DS-8182, SY115211, toluene-4-sulfonic acid fluoromethyl ester, DB-243560, C71460

Application

Fluoromethyl 4-methylbenzenesulfonate is primarily employed as a fluoromethylating reagent in synthetic organic chemistry, enabling the introduction of the fluoromethyl group into nucleophilic substrates. It finds applications in the preparation of fluorinated analogs of biologically active compounds, enhancing their metabolic stability and lipophilicity. Researchers also utilize this compound in the development of novel pharmaceutical intermediates and agrochemicals. Its reactivity with alcohols, amines, and other nucleophiles makes it a versatile tool for constructing complex fluorinated molecules.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Corr. 1 (100%)
• Skin Sens. 1 (100%)
• Eye Dam. 1 (66.7%)

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