HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methyl-3-nitroanisol
1-METHOXY-2-METHYL-3-NITROBENZENE · 2-Methyl-3-nit · BUTTPARK 52\11-31 · 2-METHYL-3-NITROANISOLE · 3-nitro-2-methylanisole · 2-Methy1-3-nitroanisole · 2-METHOXY-6-NITROTOLUENE · 6-METHOXY-2-NITROTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 4837-88-1 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | COc1cccc([N+](=O)[O-])c1C |
| InChIKey | HQCZLEAGIOIIMC-UHFFFAOYSA-N |
| PubChem CID | 78554 |
| EC No. | 225-424-5 |
| DTXSID | DTXSID50197499 |
| Lokaler Name | 2-Methyl-3-nitroanisol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 166 |
| LogP (Verteilungskoeffizient) | 2.68 |
| Schmelzpunkt | 54-56 °C (lit.) |
| Siedepunkt | 94-96°C 0,5mm |
| Dichte | 1.180±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store at room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | Yellow to pale brown |
| BRN | 2328599 |
| InChI | InChI=1S/C8H9NO3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3 |
| InChIKey | HQCZLEAGIOIIMC-UHFFFAOYSA-N |
| SMILES | C1(OC)=CC=CC([N+]([O-])=O)=C1C |
| CAS Datenbank | 4837-88-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-methoxy-2-methyl-3-nitro-(4837-88-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29093090 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 22-36/37-36-26 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
2-Methyl-3-nitroanisole may be used in chemical synthesis studies.