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2-Amino-4-methyl-3-nitropyridine
2-AMINO-4-METHYL-3-NITROPYRIDINE · NSC 52453 · TIMTEC-BB SBB006636 · 4-METHYL-3-NITRO-PYRI · 2-AMINO-3-NITRO-4-PICOLINE · 2-AMino-4-Methyl-3-nitrop... · 2-Amino-3-nitro-4-picoline,98% · 4-Methyl-3-nitro-2-pyridinamine
Identifikatoren & physikalische Daten
| CAS No. | 6635-86-5 |
|---|---|
| Summenformel | C6H7N3O2 |
| Durchschnittliche Molmasse | 153,14 g/mol |
| Monoisotopische Masse | 153,05382646 g/mol |
| SMILES | Cc1ccnc(N)c1[N+](=O)[O-] |
| InChIKey | IKMZGACFMXZAAT-UHFFFAOYSA-N |
| PubChem CID | 243166 |
| ChEMBL | CHEMBL3981727 |
| EC No. | 626-702-2 |
| DTXSID | DTXSID80287771 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 84,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 156 |
| Schmelzpunkt | 136-140 °C(lit.) |
| Siedepunkt | 276.04°C (rough estimate) |
| Dichte | 1.3682 (rough estimate) |
| Brechungsindex | 1.6500 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 2.97±0.47(Predicted) |
| Farbe | Yellow |
| BRN | 139111 |
| InChI | InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8) |
| InChIKey | IKMZGACFMXZAAT-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=CC(C)=C1[N+]([O-])=O |
| CAS Datenbank | 6635-86-5(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 2-amino-3-nitro-4-methyl-(6635-86-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39-22 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Amino-4-methyl-3-nitropyridine was used in the synthesis of 2-amino-5-hydroxy-4-methyl-3-nitropyridine, 2-amino-4-hydroxymethyl-3-nitropyridine and 2-amino-4-methyl-3-nitropyridine-1-oxide by undergoing biotransformation by Cunninghamella elegans ATCC 26269.