Description

XtalFluor-M (Difluoro(morpholin-4-yl)sulfanium Tetrafluoroborate) is a high-purity fluorinating reagent designed for advanced synthetic applications in research and industrial chemistry. With the molecular formula C₄H₈BF₆NOS and CAS number 63517-33-9, this crystalline compound offers exceptional stability and reactivity, making it ideal for selective fluorination reactions. Its unique difluoro(morpholino)sulfonium structure ensures efficient fluorine transfer under mild conditions, minimizing side reactions. Packaged under inert conditions to preserve integrity, XtalFluor-M is rigorously tested for consistency, with detailed technical data (NMR, HPLC, MS) available upon request. Suitable for use in pharmaceuticals, agrochemicals, and materials science, this reagent is a must-have for synthetic chemists seeking reliable and scalable fluorination solutions.

Properties

• CAS Number: 63517-33-9
• Complexity: 106
• IUPAC Name: difluoro(morpholino)sulfonium;tetrafluoroborate
• InChI: InChI=1S/C4H8F2NOS.BF4/c5-9(6)7-1-3-8-4-2-7;2-1(3,4)5/h1-4H2;/q+1;-1
• InChI Key: SOCYGFRGCVLCSU-UHFFFAOYSA-N
• Exact Mass: 243.0323842
• Molecular Formula: C4H8BF6NOS
• Molecular Weight: 242.98
• SMILES: [B-](F)(F)(F)F.C1COCCN1[S+](F)F
• Topological: 13.5
• Monoisotopic Mass: 243.0323842
• Synonyms: XTALFLUOR-M, 687-129-1, 63517-33-9, Difluoro(morpholino)sulfonium tetrafluoroborate, MFCD15144878, Difluoro-4-morpholinylsulfonium tetrafluoroborate, difluoro(morpholin-4-yl)sulfanium;tetrafluoroborate, XTALFLUOR-M(R), Morpholinodifluorosulfinium tetrafluoroborate, DTXSID10716741, SOCYGFRGCVLCSU-UHFFFAOYSA-N, AKOS005258203, AS-81763, SY108392, DB-429626, CS-0069550, D85271, 4-(difluoro-lambda4-sulfanylidene)morpholin-4-ium tetrafluoroborate, 4-(Difluoro-lambda~4~-sulfanylidene)morpholin-4-ium tetrafluoroborate

Application

XtalFluor-M is widely used as a fluorinating agent in organic synthesis, particularly for converting alcohols to alkyl fluorides with high selectivity. Its mild reaction conditions make it suitable for sensitive substrates, including complex natural products and pharmaceutical intermediates. The reagent is also employed in the preparation of fluorinated building blocks for agrochemicals and specialty materials. Its stability and ease of handling enhance its utility in both academic and industrial laboratories.

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%)

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