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Crotononitril
CROTONONITRILE · CROTONITRILE · but-2-enenitrile · (2E)-2-Butenenitrile · trans-Crotononitrile · e (pract) · Crotonnitrile · CrotononitriL
Identifikatoren & physikalische Daten
| CAS No. | 4786-20-3 |
|---|---|
| Summenformel | C4H5N |
| Durchschnittliche Molmasse | 67,09 g/mol |
| Monoisotopische Masse | 67,04219916 g/mol |
| SMILES | CC=CC#N |
| InChIKey | NKKMVIVFRUYPLQ-UHFFFAOYSA-N |
| PubChem CID | 20913 |
| EC No. | 225-335-1 |
| DTXSID | DTXSID0063604 |
| Lokaler Name | Crotononitril |
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 | Nitrogen Compounds -> NitrilesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| Flammpunkt | 16 °C17 °C |
| Dampfdruck | 32.0 [mmHg] |
| Physical Description | Soluble in water (25 g/L at 25 deg C)[ChemIDplus] Slightly yellow clear liquid[MSDSonline] |
| Schmelzpunkt | -51.5°C |
| Siedepunkt | 120-121 °C(lit.) |
| Dichte | 0.824 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.419(lit.) |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | liquid |
| BRN | 1719747 |
| Henry-Konstante | 8.8×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3 |
| InChIKey | NKKMVIVFRUYPLQ-UHFFFAOYSA-N |
| SMILES | C(#N)C=CC |
| CAS Datenbank | 4786-20-3(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Butenenitrile (4786-20-3) |
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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25843Crotonic acid nitrile: Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| Gefahrenübersicht | Corrosive to skin and eyes[eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractCauses lacrimation and may cause chemical pneumonitis and pulmonary edema after inhalation of high concentrationsMay cause liver injury[MSDSonline] See NITRILES. |
| Hazard Classes and Categories | Flam. Liq. 2 (99.5%)Flammable agents - 3rd degree, Reactive agents - 1st degree |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2924 3/PG 2 |
| Zollcode | 29269090 |
| RTECS-Nr. | GQ6322000 |
| R-Sätze (R) | 11-22-36/37/38-26-16 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3.1Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |