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

CAS: 670-54-2 Cat. No.: T113728 Summenformel: C₆N₄ Molekulargewicht: 128.09 Beilstein Registry Number: 1679885 EG-Nummer: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

AR

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

AR

Namen und Kennungen

• Pubchem Sid: 508813107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813107
• Kanonisches Lächeln: 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
• Isomere SMILES: C(#N)C(=C(C#N)C#N)C#N
• WGK Deutschland: 3
• RTECS: KM7300000
• UN-Nummer: 2811
• Molekulargewicht: 128.09
• Beilstein: 1679885
• Reaxy-Rn: 506867

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol, benzene, toluene, water (hydrolyses to form HCN), and ether (slightly).,
• Empfindlichkeit: Light and Moisture sensitive
• Siedepunkt (°C): 223°C
• Schmelzpunkt (°C): 198°C
• Molekulargewicht: 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