HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
n-Octannitril
NONANENITRILE · NITRILE C9 · 1-Cyanoctan · Nonanitrile · Octylcyanid · NonanenitriL · nonyl nitrile · NONANONITRILE
Identifikatoren & physikalische Daten
| CAS No. | 2243-27-8 |
|---|---|
| Summenformel | C9-H17-N |
| Durchschnittliche Molmasse | 139,24 g/mol |
| Monoisotopische Masse | 139,13609954 g/mol |
| SMILES | CCCCCCCCC#N |
| InChIKey | PLZZPPHAMDJOSR-UHFFFAOYSA-N |
| PubChem CID | 16715 |
| EC No. | 218-808-9 |
| DTXSID | DTXSID6022183 |
| Lokaler Name | n-Octannitril |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 98,5 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 3.12 |
| Dichte | 0.8178 @ 20°C0.786 g/mL at 25 °C(lit.) |
| Siedepunkt | 224.4 °C @760 [mm Hg]224 °C(lit.) |
| Schmelzpunkt | -34.2 °C-35 °C |
| Dampfdruck | 0.1 [mmHg] |
| Physical Description | Colorless to yellow liquidAlmost insoluble in water[MSDSonline] |
| Dampfdichte | 4.6 (vs air) |
| Brechungsindex | n20/D 1.426(lit.) |
| Flammpunkt | 178 °F |
| Löslichkeit | Insoluble in water |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| BRN | 1746339 |
| Henry-Konstante | 1.0×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| InChI | 1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3 |
| InChIKey | PLZZPPHAMDJOSR-UHFFFAOYSA-N |
| SMILES | CCCCCCCCC#N |
| CAS Datenbank | 2243-27-8(CAS DataBase Reference) |
| EPA chemische Informationen | Nonanenitrile (2243-27-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | See NITRILES. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Protective Action Criteria (PAC) | 3.4 [mg/m3]37 [mg/m3]220 [mg/m3] |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 2926.90.5050 |
| RTECS-Nr. | RA6606000 |
| R-Sätze (R) | 51/53 |
| Toxizität | LD50 orl-mus: 2059 mg/kg ARTODN 55,47,84 |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 61 |
| Gefahrenklasse | 6.(b) |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Nonanenitrile was used as an organic nitrogen standard in the determination of a quantitative method for the speciation of ON within ambient atmospheric aerosol.