HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pent-4-ennitril
pent-4-enenitrile · 4-pentenonitrile · 4-CYANO-1-BUTENE · 3-butenylcyanide · 1-cyano-3-butene · 4-Pentenenitrile · allylacetonitrile · allylmethylcyanide
Identifikatoren & physikalische Daten
| CAS No. | 592-51-8 |
|---|---|
| Summenformel | C5H7N |
| Durchschnittliche Molmasse | 81,12 g/mol |
| Monoisotopische Masse | 81,05784922 g/mol |
| SMILES | C=CCCC#N |
| InChIKey | CFEYBLWMNFZOPB-UHFFFAOYSA-N |
| PubChem CID | 11604 |
| ChEMBL | CHEMBL1595985 |
| EC No. | 209-762-0 |
| DTXSID | DTXSID0027228 |
| Lokaler Name | Pent-4-ennitril |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 75,2 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Optical coefficient |
| Dichte | 0.8239 AT 24 °C0.814 g/mL at 25 °C (lit.) |
| Löslichkeit | INSOL IN WATERMISCIBLE WITH ALCOHOL, ETHERInsoluble in water |
| Siedepunkt | 140 °C140 °C (lit.) |
| Dampfdruck | 6.36 [mmHg] |
| Brechungsindex | INDEX OF REFRACTION: 1.4213 AT 14 °C/Dn20/D 1.42(lit.) |
| Physical Description | LiquidSlightly yellow clear liquid[MSDSonline] |
| Schmelzpunkt | 138-139 °C |
| Flammpunkt | 140 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents. May generate toxic gases in a fire. |
| InChI | 1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2 |
| InChIKey | CFEYBLWMNFZOPB-UHFFFAOYSA-N |
| SMILES | C=CCCC#N |
| EPA chemische Informationen | 4-Pentenenitrile (592-51-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 4-Pentenenitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pentenenitrile are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711) |
| Gefahrenübersicht | Emergency treatment: IsobutyronitrileIsobutyronitrile releases cyanide after being absorbed into the bodyCauses liver injury in animal studies[HSDB] Causes respiratory depression and changes to the liver in lethal dose studies of rats[RTECS] An irritant[MSDSonline] See NITRILES. |
| Hazard Classes and Categories | Acute Tox. 4 (95.3%) |
| 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. |
| Toxicity Data | LC50 (rat) = 2,550 ppm/4h |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3275 6.1/PG 2 |
| Zollcode | 2926.90.5050 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 28-36/37 |
| Gefahrenklasse |
Anwendungen & Verwendung
Verwenden
4-Pentenenitrile may be used to synthesize 4-pentenylamine.