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Crotononitrile
(E)-But-2-enenitrile · 2-Butenenitrile, (2E)- (9CI) · trans-Crotononitrile (contains ca. 20% cis- isomer) · (E)-2-Butenenitrile · trans-2-Butenenitrile · trans-Crotononitrile (contains ca. 20% cis- isomers) · trans-Crotononitrile (contains ca. 20% cis- isomer) >trans-Crotononitrile (contains ca. 20% cis- isomer)
Identifikatoren & physikalische Daten
| CAS No. | 4786-20-3 |
|---|---|
| Summenformel | C4H5N |
| Durchschnittliche Molmasse | 67,09 g/mol |
| Monoisotopische Masse | 67,04219916 g/mol |
| SMILES | C/C=C/C#N |
| InChIKey | NKKMVIVFRUYPLQ-NSCUHMNNSA-N |
| PubChem CID | 637921 |
| ChEMBL | CHEMBL4748537 |
| ChEBI | CHEBI:191223 |
| EC No. | 225-335-1 |
| DTXSID | DTXSID801026544 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 72,9 |
| Stoffklassen | Flammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | -51.15°C |
| Siedepunkt | 108.92°C (estimate) |
| Dichte | 0.8070 |
| Brechungsindex | 1.4190 to 1.4220 |
| Flammpunkt | 16°C(lit.) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Dielektrizitätskonstante | 28.100000000000001 |
| CAS Datenbank | 627-26-9 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 209 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25843The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Hazard Classes and Categories | Flam. Liq. 2 (99.5%)Flam. Liq. 2 (100%)Flammable agents - 3rd degree, Reactive agents - 1st degree |
| UN-Transportnummer | UN 1993 3/PG II |
| Zollcode | 2926.90.4801 |
| RTECS-Nr. | EM8020000 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | II |