ChemicalBook CAS DataBase List 670-54-2

670-54-2

Name	Tetracyanoethylene
CAS	670-54-2
EINECS(EC#)	211-578-0
Molecular Formula	C6N4
MDL Number	MFCD00001850
Molecular Weight	128.09
MOL File	670-54-2.mol

Synonyms

Ethene tetracarbonitrile ETHYLENETETRACARBONITRILE PERCYANOETHYLENE TCNE TETRACYANOETHYLENE (NC)2CC(CN)2 1,1,2,2-Ethylenetetracarbonitrile 1,1,2,2-Tetracyanoethene 1,1,2,2-Tetracyanoethylene delta(sup2,2’)-bimalononitrile delta2,2'-Bimalononitrile Ethene, tetracyano- Ethylene, tetracyano- Tetracyanoethene Tetracyanoαthylen(ausderSchmelze) Tetracyanoαthylen(ausLOsung) Tetrakyanethylen Tetracyanoethyleneoffwhitextl Tetrcyanoethylene Tetracyanoethylene,98%

Chemical Properties

Definition	The first member of a class of compounds called cyanocarbons.
Appearance	white to beige-brown crystalline powder, crystals
Melting point	197-199 °C(lit.)
Boiling point	223 °C
density	1,348 g/cm³
refractive index	1.5600
Fp	223°C
storage temp.	2-8°C
form	Crystalline Powder, Crystals or Chunks
color	White to beige-brown
Water Solubility	hydrolyzes
Sensitive	Moisture Sensitive
λmax	328nm(CHCl3)(lit.)
Merck	14,9195
BRN	1679885
InChI	1S/C6N4/c7-1-5(2-8)6(3-9)4-10
InChIKey	NLDYACGHTUPAQU-UHFFFAOYSA-N
SMILES	N#CC(C#N)=C(C#N)C#N
CAS DataBase Reference	670-54-2(CAS DataBase Reference)
NIST Chemistry Reference	Tetracyanoethylene(670-54-2)
EPA Substance Registry System	670-54-2(EPA Substance)

Safety Data

Symbol(GHS)	GHS06
Signal word	Danger
Hazard statements	H300-H312+H332
Precautionary statements	P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P312
Hazard Codes	T+
Risk Statements	R20/21:Harmful by inhalation and in contact with skin . R28:Very Toxic if swallowed. R23/24:Toxic by inhalation and in contact with skin . less more
Safety Statements	S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) . S36/37:Wear suitable protective clothing and gloves . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S22:Do not breathe dust . S1:Keep locked up . less more
RIDADR	UN 2811 6.1/PG 1
WGK Germany	3
RTECS	KM7300000
TSCA	Yes
HazardClass	6.1
PackingGroup	II
HS Code	29269095
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 1 Oral Acute Tox. 4 Dermal Acute Tox. 4 Inhalation

Hazard Information

Chemical Properties

white to beige-brown crystalline powder, crystals

Uses

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

Uses

In the synthesis of spiro Compounds, in modified Diels-Alder reactions, as aromatizing agent: Longone, Smith, Tetrahedron Lett. 1962, 205.

Uses

Used for postfunctional addition to polyphenylacetylene derivatives to change the oxygen permeability. As reactant for Regioselective [2+2] cycloaddition reaction for production of BODIPY dyes2 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.

Synthesis Reference(s)

Organic Syntheses, Coll. Vol. 4, p. 877, 1963
The Journal of Organic Chemistry, 45, p. 5113, 1980 DOI: 10.1021/jo01313a019

Hazard

Hydrolyzes in moist air to hydrogen cyanide.

reaction suitability

reagent type: oxidant

Purification Methods

Crystallise it from chlorobenzene, dichloroethane, or dichloromethane [Hall et al. J Org Chem 52 5528 1987]. Storeitat0oina desiccator over NaOH pellets. (It slowly evolves HCN on exposure to moist air CARE.) It can also be sublimed at 120o under vacuum. Also purify it by repeated sublimation at 120-130o/0.5mm. [Frey et al. J Am Chem Soc 107 748 1985, Traylor & Miksztal J Am Chem Soc 109 2778 1987, Fatiadi Synthesis 249 1986, Synthesis 749 1967, Beilstein 2 IV 1245.]

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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670-54-2

Chemical Properties

Safety Data

Hazard Information

Chemical Properties

Uses

Uses

Uses

Synthesis Reference(s)

Hazard

reaction suitability

Purification Methods

Material Safety Data Sheet(MSDS)

Questions And Answer

Description

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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