XtalFluor-E - Reagent grade , CAS No.63517-29-3

CAS: 63517-29-3 Cat. No.: X139125 Formula: C₄H₁₀BF₆NS Molecular Weight: 229 EC Number: 687-130-7 PubChem CID: 44517918

GRADE & PURITY Reagent Grade

Synonyms

H10830 | MFCD15144877 | SY020381 | AKOS027470099 | diethylamino(difluoro)sulfanium;tetrafluoroborate | XTALFLUOR-E(R) | (difluoro-lambda4-sulfanylidene)(diethyl)ammonium tetrafluoroborate | AMY1278 | (Diethylamino)(difluoro)sulfanium tetrafluoroborate | D

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Convenient crystalline highly chemoselective deoxofluorination reagent with a broad substrate scope.Deoxofluorination reagent with a better safety profile, that doesn′t generate corrosive HF which makes it suitable for use in standard borosilicate vessels, and does not react violently with water

Specifications

Synonyms

H10830 | MFCD15144877 | SY020381 | AKOS027470099 | diethylamino(difluoro)sulfanium;tetrafluoroborate | XTALFLUOR-E(R) | (difluoro-lambda4-sulfanylidene)(diethyl)ammonium tetrafluoroborate | AMY1278 | (Diethylamino)(difluoro)sulfanium tetrafluoroborate | D

Specifications & Purity

Reagent Grade

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Reagent Grade

Names and Identifiers

Pubchem Sid

488200992

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200992

Canonical Smiles

[B-](F)(F)(F)F.CCN(CC)[S+](F)F

IUPAC Name

diethylamino(difluoro)sulfanium;tetrafluoroborate

InChIKey

YLNKFQWRRIXZPJ-UHFFFAOYSA-N

INCHI

1S/C4H10F2NS.BF4/c1-3-7(4-2)8(5)6;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1

Isomeric SMILES

[B-](F)(F)(F)F.CCN(CC)[S+](F)F

WGK Germany

3

PubChem CID

44517918

Molecular Weight

229

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metalloid salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metalloid salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metalloid salts
• Alternative Parents: Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metalloid salts. These are organic salt compounds containing a metalloid atom in its ionic form.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light & Moisture sensitive
• Molecular Weight: 229.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 229.053 Da
• Monoisotopic Mass: 229.053 Da
• Topological Polar Surface Area: 4.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 75.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3