HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-5-nitro-o-tolylether
2-Methyl-5-nitroanis · 5-Nitro-o-metylanisole · 5-Nitro-2-MethylAnisole · 2-METHYL-5-NITROANISOLE · 2-METHOXY-4-NITROTOLUENE · 4-nitro-2-Methoxytoluene · 2-METHYL-5-NITROANISOLE 99% · 2-Methyl-5-nitroanisole,99%
Identifikatoren & physikalische Daten
| CAS No. | 13120-77-9 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | COc1cc([N+](=O)[O-])ccc1C |
| InChIKey | WVQGZNRUEVFXKR-UHFFFAOYSA-N |
| PubChem CID | 83159 |
| EC No. | 236-048-6 |
| DTXSID | DTXSID5065356 |
| Lokaler Name | Methyl-5-nitro-o-tolylether |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 166 |
| Schmelzpunkt | 69-71 °C (lit.) |
| Siedepunkt | 281.2±20.0 °C(Predicted) |
| Dichte | 1.180±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| InChI | 1S/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3 |
| InChIKey | WVQGZNRUEVFXKR-UHFFFAOYSA-N |
| SMILES | COc1cc(ccc1C)[N+]([O-])=O |
| CAS Datenbank | 13120-77-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzene, 2-methoxy-1-methyl-4-nitro- (13120-77-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
2-Methyl-5-nitroanisole was used in the synthesis of:2-methoxy-p-toluidine via reduction with tin and hydrochloric acid2-methoxy-4-nitrobenzyl bromide