HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Nitro-p-cymol
NSC 9839 · 2-NITRO-P-CYMENE · 2-Nitro-4-cymene · 2-Nitro-para-cymene · 2-Nitro-p-cymene>2-Nitro-4-cymene,95% · 2-Nitro-4-cymene,90%,tech. · 4-Isopropyl-2-nitrotoluene · 2-nitro-4-isopropyltoluene
Identifikatoren & physikalische Daten
| CAS No. | 943-15-7 |
|---|---|
| Summenformel | C10H13NO2 |
| Durchschnittliche Molmasse | 179,22 g/mol |
| Monoisotopische Masse | 179,09462866 g/mol |
| SMILES | Cc1ccc(C(C)C)cc1[N+](=O)[O-] |
| InChIKey | DRKFWQDBPGTSOO-UHFFFAOYSA-N |
| PubChem CID | 70340 |
| EC No. | 213-397-2 |
| DTXSID | DTXSID9061336 |
| Lokaler Name | 2-Nitro-p-cymol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 186 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 1°C (estimate) |
| Siedepunkt | 134 °C / 15mmHg |
| Dichte | 1.07 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.528(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Yellow to Orange |
| InChI | 1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3 |
| InChIKey | DRKFWQDBPGTSOO-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc(C)c(c1)[N+]([O-])=O |
| EPA chemische Informationen | Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- (943-15-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (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 | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2904200090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
2-Nitro-p-cymene was used in the synthesis of 5 -isopropyl-8-methylquinoline. It was used as mediator solvent in perchlorate ion-selective electrode with poly(vinyl chloride) matrix membrane on conductive silver-epoxy composite.