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

CAS: 670-54-2 Cat. No.: T113728 Formula: C₆N₄ Peso molecolare: 128.09 Beilstein Registry Number: 1679885 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

AR

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice,FedEx DG Service

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Grado

AR

Nomi e identificatori

• Pubchem Sid: 508813107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813107
• Sorrisi canonici: 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
• Isomeri SMILES: C(#N)C(=C(C#N)C#N)C#N
• WGK Germania: 3
• RTECS: KM7300000
• Numero UN: 2811
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol, benzene, toluene, water (hydrolyses to form HCN), and ether (slightly).,
• Sensibilità: Light and Moisture sensitive
• Punto di ebollizione (°C): 223°C
• Punto di fusione (°C): 198°C
• Peso molecolare: 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