HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Amino-2-nitrobenzoesure
ANBA · NSC 74455 · TIMTEC-BB SBB008583 · 3-CARBOXY-4-NITROANILINE · (Purified) [for gamma-GT] · 5-Amino-2-nitrobenzoicaci · 3-AMINO-6-NITROBENZOIC ACID · 5-AMINO-2-NITROBENZOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 13280-60-9 |
|---|---|
| Summenformel | C7H6N2O4 |
| Durchschnittliche Molmasse | 182,13 g/mol |
| Monoisotopische Masse | 182,03275668 g/mol |
| SMILES | Nc1ccc([N+](=O)[O-])c(C(=O)O)c1 |
| InChIKey | KZZWQCKYLNIOBT-UHFFFAOYSA-N |
| PubChem CID | 83298 |
| EC No. | 236-283-4 |
| DTXSID | DTXSID40157805 |
| Lokaler Name | 5-Amino-2-nitrobenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 109 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 225 |
| Schmelzpunkt | 236-238 °C (lit.) |
| Siedepunkt | 481.3±35.0 °C(Predicted) |
| Dichte | 1.568±0.06 g/cm3(Predicted) |
| Dampfdruck | 0-0Pa at 20-50℃ |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO, MethanolInsoluble |
| pKa (Säurekonstante) | 2.28±0.25(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Yellow-Brown |
| BRN | 2107512 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11) |
| InChIKey | KZZWQCKYLNIOBT-UHFFFAOYSA-N |
| SMILES | Nc1ccc(c(c1)C(O)=O)[N+]([O-])=O |
| LogP (Verteilungskoeffizient) | -1.48 at pH7 |
| Oberflächenspannung | 70.53mN/m at 1g/L and 20℃ |
| CAS Datenbank | 13280-60-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29224999 |
| R-Sätze (R) | 36/37/38-22-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37/39-36 |
| Lagerklasse | 5.1B - Oxidizing hazardous materials |
| Gefahrenklasse | Ox. Sol. 2 |
Anwendungen & Verwendung
Beschreibung
5-Amino-2-nitrobenzoic acid is a reagent used in preparation of polymer-bound diazonium salts and insulin receptor tyrosine kinase activator. It is also used in 2-component dendritic chain reactions and activation of hydrophobic dendrimers.
Verwenden
Reactant for:Two-component dendritic chain reactionsEnzymic activation of hydrophobic self-immolative dendrimersPreparation of insulin receptor tyrosine kinase activatorPreparation of polymer-bound diazonium salts using Merrifield resin-bound piperazine