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

CAS: 63517-29-3 Cat. No.: X139125 Formule: C₄H₁₀BF₆NS Poids moléculaire: 229 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Reagent Grade

Conditions de stockage de stockage

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

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Reagent Grade

Noms et identifiants

Pubchem Sid

488200992

Pubchem Sid Url

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

Sourires canoniques

[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

Isomères SMILES

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

WGK Allemagne

3

PubChem CID

44517918

Poids moléculaire

229

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic salts
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: Light & Moisture sensitive
• Poids moléculaire: 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