Tetracyanoethylene, >98.0%(N)

Name: Tetracyanoethylene
Brand: Chempure

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CAS Number

670-54-2

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IUPAC name	ethene-1,1,2,2-tetracarbonitrile
canonical smiles	C(#N)C(=C(C#N)C#N)C#N
inchi	InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10
inchi key	NLDYACGHTUPAQU-UHFFFAOYSA-N
molecular formula	C6N4
synonyms	TETRACYANOETHYLENE 670-54-2 Tetracyanoethene Ethylenetetracarbonitrile ethene-1,1,2,2-tetracarbonitrile
Compound Description	Tetracyanoethylene is a chemical compound of cyanide. It is used to prepare numerous organic superconductors, usually by serving as a single electron oxidant of an organic electron donor. Such charge-transfer salts are sometimes called Bechgaard salt.

Computed Properties

Molecular Weight:	128.09 g/mol
XLogP3:	-0.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	128.012296017 g/mol
Monoisotopic Mass:	128.012296017 g/mol
Topological Polar Surface Area:	95.2 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	289
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 2 (100%) Acute Tox. 2 (11.11%) Acute Tox. 4 (84.44%) Skin Irrit. 2 (15.56%) Eye Irrit. 2A (15.56%) STOT SE 3 (13.33%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (11.11%): Fatal in contact with skin [Danger Acute toxicity, dermal] H312 (84.44%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (15.56%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (84.44%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (13.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Causes conjunctive irritation and respiratory obstruction in ocular lethal-dose studies of rabbits. Causes convulsions, regional or general arteriolar or venous dilation, dyspnea, and respiratory obstruction in oral lethal-dose studies of mice. A skin and strong eye irritant. Highly toxic by ingestion and skin absorption. See NITRILES. See Hydrogen cyanide.

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About this item

IUPAC name	ethene-1,1,2,2-tetracarbonitrile
canonical smiles	C(#N)C(=C(C#N)C#N)C#N
inchi	InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10
inchi key	NLDYACGHTUPAQU-UHFFFAOYSA-N
molecular formula	C6N4
synonyms	TETRACYANOETHYLENE 670-54-2 Tetracyanoethene Ethylenetetracarbonitrile ethene-1,1,2,2-tetracarbonitrile
Compound Description	Tetracyanoethylene is a chemical compound of cyanide. It is used to prepare numerous organic superconductors, usually by serving as a single electron oxidant of an organic electron donor. Such charge-transfer salts are sometimes called Bechgaard salt.

Computed Properties

Molecular Weight:	128.09 g/mol
XLogP3:	-0.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	128.012296017 g/mol
Monoisotopic Mass:	128.012296017 g/mol
Topological Polar Surface Area:	95.2 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	289
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 2 (100%) Acute Tox. 2 (11.11%) Acute Tox. 4 (84.44%) Skin Irrit. 2 (15.56%) Eye Irrit. 2A (15.56%) STOT SE 3 (13.33%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (11.11%): Fatal in contact with skin [Danger Acute toxicity, dermal] H312 (84.44%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (15.56%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (84.44%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (13.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Causes conjunctive irritation and respiratory obstruction in ocular lethal-dose studies of rabbits. Causes convulsions, regional or general arteriolar or venous dilation, dyspnea, and respiratory obstruction in oral lethal-dose studies of mice. A skin and strong eye irritant. Highly toxic by ingestion and skin absorption. See NITRILES. See Hydrogen cyanide.

Product No: AW3762

Tetracyanoethylene, >98.0%(N)

Product No: AW3762

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: AW3762

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?