Tetracyanoethylene(TCNE) - AR , CAS No.670-54-2

CAS: 670-54-2 Cat. No.: T113728 Formule: C₆N₄ Poids moléculaire: 128.09 Beilstein Registry Number: 1679885 Numéro CE: 211-578-0

QUALITÉ & PURETÉ 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Vue d’ensemble

Used for postfunctional addition to polyphenylacetylene derivatives to change the oxygen permeability. Reactant for: Regioselective [2+2] cycloaddition reaction for production of BODIPY dyes and TCBD derivatives Thermal addition reaction with alkynes One-pot reactions with nucleophilic reagents forming aromatic cyanovinyl compounds Synthesis of cobalt tetracyanoethylene films Biotransformation by Botrytis cinerea

Spécifications

Synonymes

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

Spécifications et pureté

AR

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice,FedEx DG Service

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

Grade

AR

Noms et identifiants

Pubchem Sid

508813107

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

KM7300000

Numéro ONU

2811

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol, benzene, toluene, water (hydrolyses to form HCN), and ether (slightly).,
• Sensibilité: Light and Moisture sensitive
• Point d'ébullition (°C): 223°C
• Point de fusion (°C): 198°C
• Poids moléculaire: 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