HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Heptan-1-nitril
HEPTANENITRILE · 1-HEPTANITRILE · HEPTANONITRILE · 1-CYANOHEXANE · 1-Gengnitrile · ENANTHONITRILE · heptyl nitrile · N-HEPTONITRILE
Identifikatoren & physikalische Daten
| CAS No. | 629-08-3 |
|---|---|
| Summenformel | C7H13N |
| Durchschnittliche Molmasse | 111,18 g/mol |
| Monoisotopische Masse | 111,10479942 g/mol |
| SMILES | CCCCCCC#N |
| InChIKey | SDAXRHHPNYTELL-UHFFFAOYSA-N |
| PubChem CID | 12372 |
| ChEMBL | CHEMBL1231869 |
| EC No. | 211-071-4 |
| DTXSID | DTXSID0021599 |
| Lokaler Name | Heptan-1-nitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 77,6 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 0.72 [mmHg] |
| Physical Description | Insoluble in water (624 mg/L at 25 deg C)[ChemIDplus] Colorless liquid[MSDSonline] |
| Schmelzpunkt | -64 °C |
| Siedepunkt | 186-187 °C(lit.) |
| Dichte | 0.81 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.521(lit.) |
| Flammpunkt | 137 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Slightly soluble in water. |
| BRN | 1740405 |
| Henry-Konstante | 1.6×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| LogP (Verteilungskoeffizient) | 2.214 (est) |
| CAS Datenbank | 629-08-3(CAS DataBase Reference) |
| EPA chemische Informationen | Heptanenitrile (629-08-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[MSDSonline] See NITRILES. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3276 6.1/PG 3 |
| Zollcode | 29269095 |
| RTECS-Nr. | MW5604750 |
| R-Sätze (R) | 23/24/25-36/37/38-20/21/22 |
| Gefahrensymbole | T,Xn |
| Sicherheitshinweise (S) | 36/37/39-45-36-26 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
The Heptanenitrile is used for producing 2, 3, 5, 6-tetrahexyl-pyrazine. As intermediates.