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2-Methoxy-4-methyl-5-nitropyridine
2-METHOXY-4-METHYL-5-NITROPYRIDINE · 6-methoxy-3-methyl-2-nitropyridine · 2-METHOXY-5-NITRO-4-ICOLINE · 2-Methoxy-5-nitro-4-picolin · 2-Metho×y-5-nitro-4-picoline · 2-METHOXY-5-NITRO-4-PICOLINE · 2-Methoxy-5-nitro-4-methylprydine · 2-Methoxy-5-nitro-4-picoline ,99%
Identifikatoren & physikalische Daten
| CAS No. | 6635-90-1 |
|---|---|
| Summenformel | C7H8N2O3 |
| Durchschnittliche Molmasse | 168,15 g/mol |
| Monoisotopische Masse | 168,05349212 g/mol |
| SMILES | COc1cc(C)c([N+](=O)[O-])cn1 |
| InChIKey | DJNQRLCFAHKFLZ-UHFFFAOYSA-N |
| PubChem CID | 243169 |
| EC No. | 687-286-6 |
| DTXSID | DTXSID00287773 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 169 |
| Schmelzpunkt | 79.0 to 83.0 °C |
| Siedepunkt | 280.3±35.0 °C(Predicted) |
| Dichte | 1.247±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Slightly soluble in water. |
| pKa (Säurekonstante) | 0.02±0.18(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow to Pale Beige |
| InChI | 1S/C7H8N2O3/c1-5-3-7(12-2)8-4-6(5)9(10)11/h3-4H,1-2H3 |
| InChIKey | DJNQRLCFAHKFLZ-UHFFFAOYSA-N |
| SMILES | COc1cc(C)c(cn1)[N+]([O-])=O |
| CAS Datenbank | 6635-90-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38-41-37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Methoxy-4-methyl-5-nitropyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.