Description

(Diethylamino)difluorosulfonium tetrafluoroborate (CAS No. 63517-29-3) is a highly specialized fluorinating reagent designed for advanced synthetic applications in organic chemistry. With the molecular formula C₄H₁₀BF₆NS, this compound is widely recognized under the trade name XtalFluor-E, offering superior stability and reactivity compared to traditional fluorination agents. Its unique diethylamino(difluoro)sulfanium cation paired with a tetrafluoroborate anion ensures efficient electrophilic fluorination while minimizing side reactions. Ideal for researchers and industrial chemists, this reagent is rigorously purified (>98% purity) and packaged under inert conditions to guarantee optimal performance. Suitable for use in peptide synthesis, pharmaceuticals, and material science, it is a must-have for high-precision fluorination workflows.

Properties

• CAS Number: 63517-29-3
• Complexity: 75.1
• IUPAC Name: diethylamino(difluoro)sulfonium;tetrafluoroborate
• InChI: InChI=1S/C4H10F2NS.BF4/c1-3-7(4-2)8(5)6;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1
• InChI Key: YLNKFQWRRIXZPJ-UHFFFAOYSA-N
• Exact Mass: 229.0531196
• Molecular Formula: C4H10BF6NS
• Molecular Weight: 229.00
• SMILES: [B-](F)(F)(F)F.CCN(CC)[S+](F)F
• Topological: 4.2
• Monoisotopic Mass: 229.0531196
• Synonyms: (Diethylamino)difluorosulfonium tetrafluoroborate, 687-130-7, XtalFluor-E, 63517-29-3, XTALFLUOR-E(R), diethylamino(difluoro)sulfanium;tetrafluoroborate, diethylamino(difluoro)sulfanium,tetrafluoroborate, MFCD15144877, diethylaminodifluorosulfonium tetrafluoroborate, XtalFlour-E, N,N-Diethylamino-S,S-difluorosulfinium tetrafluoroborate, SCHEMBL15938212, DTXSID50659249, YLNKFQWRRIXZPJ-UHFFFAOYSA-N, AKOS005258202, AKOS027470099, CS-W020163, FX31882, AS-49341, DA-41851, SY020381, EN300-393165, H10830, (Diethylamino)(difluoro)sulfanium tetrafluoroborate, (difluoro-lambda4-sulfanylidene)(diethyl)ammonium tetrafluoroborate, (difluoro-lambda4-sulfanylidene)diethylazanium; tetrafluoroboranuide, N-(Difluoro-lambda4-sulfanylidene)-N-ethylethanaminium tetrafluoroborate, (Diethylamino)difluorosulfonium tetrafluoroborate;N,N-Diethyl-S,S-difluorosulfiliminium tetrafluoroborate;N,N-Diethylamino-S,S-diflu orosulfinium tetrafluoroborate

Application

(Diethylamino)difluorosulfonium tetrafluoroborate (XtalFluor-E) is primarily used as a mild and selective electrophilic fluorinating agent in organic synthesis. It enables efficient fluorination of enolates, silyl enol ethers, and other nucleophilic substrates with high yields and minimal byproducts. This reagent is particularly valuable in pharmaceutical research for introducing fluorine atoms into drug candidates to enhance metabolic stability and bioavailability. Its compatibility with sensitive functional groups makes it a preferred choice for complex molecule derivatization. Additionally, it is employed in material science for modifying polymer and small-molecule properties via fluorination.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Acute Tox. 3 (100%)
• Skin Corr. 1B (100%)
• Acute Tox. 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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