Ethylentetracarbonitril

TCNE · Ethene-1,1,2,2-tetracarbonitrile · NSC 24833 · (NC)2CC(CN)2 · TetracyanoethyL · Tetracyanoethene · Tetrakyanethylen · PERCYANOETHYLENE

https://huagongshe.com/de/chemical/12635

Molekülstruktur von Ethylentetracarbonitril

Identifikatoren & physikalische Daten

CAS No.	670-54-2
Summenformel	C6N4
Durchschnittliche Molmasse	128,09 g/mol
Monoisotopische Masse	128,012296 g/mol
SMILES	N#CC(C#N)=C(C#N)C#N
InChIKey	NLDYACGHTUPAQU-UHFFFAOYSA-N
PubChem CID	12635
ChEMBL	CHEMBL3188794
EC No.	211-578-0
DTXSID	DTXSID7049425
Lokaler Name	Ethylentetracarbonitril

Chemische & physikalische Eigenschaften

XLogP	-0,2
Polarare Oberfläche (TPSA)	95,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	289
Stoffklassen	Nitrogen Compounds -> Nitriles
SpringerMaterials Properties	Schoenflies notation
Physical Description	Solid[Merck Index] Colorless crystalline solid[Alfa Aesar MSDS]
Schmelzpunkt	197-199 °C(lit.)
Siedepunkt	223 °C
Dichte	1,348 g/cm3
Brechungsindex	1.5600
Flammpunkt	223°C
Lagerbedingungen	2-8°C
Aggregatzustand	Crystalline Powder, Crystals or Chunks
Farbe	White to beige-brown
Löslichkeit	hydrolyzes
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 Datenbank	670-54-2(CAS DataBase Reference)
NIST chemische Informationen	Tetracyanoethylene(670-54-2)
EPA chemische Informationen	Ethenetetracarbonitrile (670-54-2)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]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 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: EthenetetracarbonitrileTetracyanoethylene: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Causes conjunctive irritation and respiratory obstruction in ocular lethal-dose studies of rabbitsCauses convulsions, regional or general arteriolar or venous dilation, dyspnea, and respiratory obstruction in oral lethal-dose studies of mice[RTECS] A skin and strong eye irritantHighly toxic by ingestion and skin absorption[Alfa Aesar MSDS] See NITRILES. See Hydrogen cyanide.
Hazard Classes and Categories	Acute Tox. 1 (100%)
Treatment	Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)
Gesundheitliche Auswirkungen	Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)
Unerwünschte Wirkungen	Other Poison - Chemical Asphyxiant
Expositionspfade	Oral (L96)inhalation (L96)dermal (L96)