Tetracianoetileno - AR , CAS No.670-54-2

CAS: 670-54-2 Cat. No.: T113728 Fórmula: C₆N₄ Peso molecular: 128.09 Beilstein Registry Number: 1679885 Número CE: 211-578-0

GRADE & PURITY AR

Synonyms

J-200117 | TCNE | Tetrakyanethylen [Czech] | AI3-28756 | delta(sup 2,2')-Bimalononitrile | 1,1,2,2-ethenetetracarbonitrile | 1,1,2,2-Ethylenetetracarbonitrile # | BBL027360 | EINECS 211-578-0 | Percyanoethylene | Tetracyanoethylene, 98% | Tox21_202940 | E

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Visão geral

Utilizado para adição pós-funcional a derivados de polifenilacetileno para alterar a permeabilidade ao oxigénio. Reagente para: Reação de cicloadição [2+2] regiosselectiva para produção de corantes BODIPY e derivados TCBD Reação de adição térmica com alcinos Reacções one-pot com reagentes nucleófilos formando compostos cianovinílicos aromáticos Síntese de películas de tetracianoetileno de cobalto Biotransformação por Botrytis cinerea

Specifications

Sinónimos

J-200117 | TCNE | Tetrakyanethylen [Czech] | AI3-28756 | delta(sup 2,2')-Bimalononitrile | 1,1,2,2-ethenetetracarbonitrile | 1,1,2,2-Ethylenetetracarbonitrile # | BBL027360 | EINECS 211-578-0 | Percyanoethylene | Tetracyanoethylene, 98% | Tox21_202940 | E

Especificações e pureza

AR

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Grau

AR

Nomes e identificadores

Pubchem Sid

508813107

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813107

Sorrisos canónicos

C(#N)C(=C(C#N)C#N)C#N

IUPAC Name

ethene-1,1,2,2-tetracarbonitrile

InChIKey

NLDYACGHTUPAQU-UHFFFAOYSA-N

INCHI

1S/C6N4/c7-1-5(2-8)6(3-9)4-10

SMILES isoméricas

C(#N)C(=C(C#N)C#N)C#N

WGK Alemanha

3

RTECS

KM7300000

Número UN

2811

Peso molecular

128.09

Beilstein

1679885

Reaxy-Rn

506867

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol, benzene, toluene, water (hydrolyses to form HCN), and ether (slightly).,
• Sensibilidade: Light and Moisture sensitive
• Ponto de ebulição (°C): 223°C
• Ponto de fusão (°C): 198°C
• Peso molecular: 128.090 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 128.012 Da
• Monoisotopic Mass: 128.012 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 289.000
• 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: 1