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

CAS: 333-20-0 Cat. No.: P432633 분자식: KSCN 분자량: 97.18 Beilstein Registry Number: 3594799 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Reagent Grade, High-purity, ≥99%

보관 조건

Room temperature

등급

High-purity, Reagent Grade

순수함

≥99%

이름과 식별자

Pubchem Sid

504758974

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758974

정식 스마일

C(#N)[S-].[K+]

IUPAC Name

potassium;thiocyanate

InChIKey

ZNNZYHKDIALBAK-UHFFFAOYSA-M

INCHI

1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1

이성체 SMILES

C(#N)[S-].[K+]

분자량

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
    • 분류 Thiocyanates
      • Subclass Metal thiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 끓는점(°C): 500°C
• 녹는점(°C): 173°C
• 분자량: 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

XLogP3