HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-4-methyl-5-nitropyridine
2-AMINO-4-METHYL-5-NITROPYRIDINE · 4-methyl-5-nitropyridin-2-amine · 2-AMINO-5-NITRO-4-PICOLINE · 2-Amino-5-nitro-4-picoline,98% · 2-AMiono-4Methyl-5Nitropyridine · 4-Methyl-5-nitro-2-pyridinamine · 2-Amino-4-Mythyl-5-NitroPyridine · 2-Amino-5-nitro-4-methylpyridine
Identifikatoren & physikalische Daten
| CAS No. | 21901-40-6 |
|---|---|
| Summenformel | C6H7N3O2 |
| Durchschnittliche Molmasse | 153,14 g/mol |
| Monoisotopische Masse | 153,05382646 g/mol |
| SMILES | Cc1cc(N)ncc1[N+](=O)[O-] |
| InChIKey | GRBBNZYMXKTQAI-UHFFFAOYSA-N |
| PubChem CID | 243165 |
| ChEMBL | CHEMBL3187059 |
| EC No. | 624-887-4 |
| DTXSID | DTXSID20287770 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| 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 | 223-225 °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 |
| Löslichkeit | Soluble in DMSO. |
| pKa (Säurekonstante) | 3.44±0.24(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Orange to yellow-brown |
| BRN | 137695 |
| InChI | InChI=1S/C6H7N3O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3,(H2,7,8) |
| InChIKey | GRBBNZYMXKTQAI-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=C([N+]([O-])=O)C(C)=C1 |
| CAS Datenbank | 21901-40-6(CAS DataBase Reference) |
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 76 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-22-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Amino-4-methyl-5-nitropyridine was used in the preparation of matrix mixture required to study new technical developments for the direct tissue analysis of peptides.