Potassium thiocyanate - high-purity, Reagent grade, ≥99% , CAS No.333-20-0

CAS: 333-20-0 Cat. No.: P432633 Fórmula: KSCN Peso molecular: 97.18 Beilstein Registry Number: 3594799 Número CE: 206-370-1

GRADE & PURITY Reagent Grade, High-purity, ≥99%

Synonyms

DS-7960 | Potassium thiocyanate, puriss. p.a., ACS reagent, >=99.0% (AT) | Thiocyanic acid, potassium salt | Potassium thiocyanide | Potassium thiocyanate, BioXtra, >=99.0% | Aterocyn | NCGC00258035-01 | CCRIS 4041 | KSCN | DTXSID7029619 | POTASSIUM THIOC

Storage

Room temperature

Visão geral

General Description

Potassium thiocyanate (KSCN) is a potassium salt of thiocyanate anion. Its crystalline structure has been analyzed based on polarized infrared spectral data. The inhibition efficiency of KSCN dissolved in 1M HCl against the corrosion of carbon-steel has been evaluated. It facilitates the ring opening of aziridines with high regioselectivity.

Application

Potassium thiocyanate may be used in the synthesis of the following: α-Amino nitriles from tertiary amines. Polysubstituted 2-aminothiazoles from vinyl azides. Benzisothiazol-3(2 H )-one derivatives from o -bromobenzamides. Diaryl thioethers from aryl halides.

Specifications

Sinónimos

DS-7960 | Potassium thiocyanate, puriss. p.a., ACS reagent, >=99.0% (AT) | Thiocyanic acid, potassium salt | Potassium thiocyanide | Potassium thiocyanate, BioXtra, >=99.0% | Aterocyn | NCGC00258035-01 | CCRIS 4041 | KSCN | DTXSID7029619 | POTASSIUM THIOC

Especificações e pureza

Reagent Grade, High-purity, ≥99%

Condições de armazenamento de armazenamento

Room temperature

Grau

High-purity, Reagent Grade

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 504758974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758974
• Sorrisos canónicos: C(#N)[S-].[K+]
• IUPAC Name: potassium;thiocyanate
• InChIKey: ZNNZYHKDIALBAK-UHFFFAOYSA-M
• INCHI: 1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1
• SMILES isoméricas: C(#N)[S-].[K+]
• Peso molecular: 97.18
• Beilstein: 3594799
• Reaxy-Rn: 3594799
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3594799&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thiocyanates
      • Subclass Metal thiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thiocyanates
• Subclass: Metal thiocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal thiocyanates
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic potassium salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Metal thiocyanate - Organic alkali metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organonitrogen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as metal thiocyanates. These are metal salts of thiocyanic acid.
• External Descriptors: potassium salt

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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 500°C
• Ponto de fusão (°C): 173°C
• Peso molecular: 97.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 96.9389 Da
• Monoisotopic Mass: 96.9389 Da
• Topological Polar Surface Area: 24.800 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 34.500
• 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

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