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4-Methyl-3-nitropyridine
3-nitro-4-picoline · 4-METHYL-3-NITROPYRIDINE · 3-Nitro-4-methylpyridine · Methyl-3-nitropyridine,4- · pyridine, 4-Methyl-3-nitro- · 4-Methyl-3-nitropyridine>4-Methyl-3-nitropyridine 97% · 4-Methyl-3-nitropyridine,98% · Pyridine, 4-methyl-3-nitro- (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 5832-44-0 |
|---|---|
| Summenformel | C6H6N2O2 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,04292743 g/mol |
| SMILES | Cc1ccncc1[N+](=O)[O-] |
| InChIKey | JLNRJMGYBKMDGI-UHFFFAOYSA-N |
| PubChem CID | 521828 |
| EC No. | 628-685-7 |
| DTXSID | DTXSID70334743 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 132 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 24-28 °C |
| Siedepunkt | 238 °C |
| Dichte | 1.228 g/mL at 25 °C |
| Brechungsindex | n20/D 1.549 |
| Flammpunkt | 227 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 1.87±0.18(Predicted) |
| Farbe | White or Colorless to Yellow |
| BRN | 118796 |
| InChI | InChI=1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3 |
| InChIKey | JLNRJMGYBKMDGI-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(C)=C1[N+]([O-])=O |
| CAS Datenbank | 5832-44-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29333990 |
| R-Sätze (R) | 22-37/38-41-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-39-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Methyl-3-nitropyridine may be used as a starting material in the synthesis of ethyl 6-azaindole-2-carboxylate and also 3-substituted azaindoles.