XtalFluor-E® - CAS 63517-29-3

Catalog:	BB032178
Product Name:	XtalFluor-E®
CAS:	63517-29-3
Synonyms:	diethylamino(difluoro)sulfanium;tetrafluoroborate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	diethylamino(difluoro)sulfanium;tetrafluoroborate
Description:	XtalFluor-E® (CAS# 63517-29-3) is a useful reagent for deoxofluorination reactions. An activating and a dehydrating agent.
Molecular Weight:	229.00
Molecular Formula:	C4H10BF6NS
Canonical SMILES:	[B-](F)(F)(F)F.CCN(CC)[S+](F)F
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
LogP:	2.93050

Publication Number	Title	Priority Date
CN-113149876-A	Method for continuously preparing florfenicol based on micro-reaction system	20210426
CN-112500303-A	Preparation method of beta-fluoro chiral unnatural amino acid	20201211
US-2021276976-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
WO-2021160716-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
US-2021238142-A1	Triflazoles and methods of making the same	20200131

PMID	Publication Date	Title	Journal
23072399	20121102	Halogenation of primary alcohols using a tetraethylammonium halide/[Et2NSF2]BF4 combination	Organic letters
22682311	20120801	Synthesis of glycosyl fluorides from thio-, seleno-, and telluroglycosides and glycosyl sulfoxides using aminodifluorosulfinium tetrafluoroborates	Carbohydrate research
22159592	20120207	Synthesis of 1,3,4-oxadiazoles from 1,2-diacylhydrazines using [Et2NSF2]BF4 as a practical cyclodehydration agent	Organic & biomolecular chemistry
20405933	20100521	Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling	The Journal of organic chemistry

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2,4-Difluorotoluene

Other Pyrimidines

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	75.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.0531196
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.0531196
Rotatable Bond Count:	2
Topological Polar Surface Area:	4.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0