HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Nitrocyclohex-1-en
1-Nitrocyclohexene · 1-Nitrocyclohex-1-ene · Nitrocyclohexene · 1-NITRO-1-CYCLOHEXENE · Cyclohexene, 1-nitro- · 1-Nitro-1-cyclohexene 99% · 1-NITRO-1-CYCLOHEXENE ISO 9001：2015 REACH · Nitrocyclohexene, 1-: (1-Nitrocyclohex-1-ene)
Identifikatoren & physikalische Daten
| CAS No. | 2562-37-0 |
|---|---|
| Summenformel | [C6H9-NO2] |
| Durchschnittliche Molmasse | 127,14 g/mol |
| Monoisotopische Masse | 127,06332853 g/mol |
| SMILES | O=[N+]([O-])C1=CCCCC1 |
| InChIKey | DJBRXNRKYAWTBL-UHFFFAOYSA-N |
| PubChem CID | 75713 |
| ChEBI | CHEBI:73802 |
| EC No. | 219-883-0 |
| DTXSID | DTXSID40180294 |
| Lokaler Name | 1-Nitrocyclohex-1-en |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 146 |
| SpringerMaterials Properties | Coriolis coupling |
| Siedepunkt | 66-68 °C/1.5 mmHg(lit.) |
| Dichte | 1.127 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.505(lit.) |
| Flammpunkt | 79 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| InChI | 1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2 |
| InChIKey | DJBRXNRKYAWTBL-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)C1=CCCCC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 2904200090 |
| R-Sätze (R) | 36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Nitro-1-cyclohexene was used in the preparation of substituted anilines via chemoselective hydrogenation catalyzed by supported gold nanoparticles (Au/TiO2 and Au/Fe2O3).