HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Nitrosalicylic acid
2-HYDROXY-3-NITROBENZOIC ACID · NSC 182 · Aids019404 · AKOS 94104 · Aids-019404 · AURORA KA-2532 · RARECHEM AL BE 0272 · 3-nitro-salicylicaci
Identifikatoren & physikalische Daten
| CAS No. | 85-38-1 |
|---|---|
| Summenformel | C7H5NO5 |
| Durchschnittliche Molmasse | 183,12 g/mol |
| Monoisotopische Masse | 183,01677226 g/mol |
| SMILES | O=C(O)c1cccc([N+](=O)[O-])c1O |
| InChIKey | WWWFHFGUOIQNJC-UHFFFAOYSA-N |
| PubChem CID | 6807 |
| EC No. | 628-816-8 |
| DTXSID | DTXSID80234048 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 103 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 223 |
| Schmelzpunkt | 142-147 °C |
| Siedepunkt | 316.77°C (rough estimate) |
| Dichte | 1.6074 (rough estimate) |
| Brechungsindex | 1.6280 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly)1.3g/L(16 ºC) |
| pKa (Säurekonstante) | pK1:1.87 (25°C) |
| Aggregatzustand | Solid |
| Farbe | Pale Beige to Beige |
| Merck | 14,6631 |
| BRN | 2213132 |
| InChI | InChI=1S/C7H5NO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11) |
| InChIKey | WWWFHFGUOIQNJC-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1O |
| CAS Datenbank | 85-38-1(CAS DataBase Reference) |
| NIST chemische Informationen | Salicylic acid, 3-nitro(85-38-1) |
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 42 reports by companies from 5 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 | 29182900 |
| RTECS-Nr. | VO5300000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Nitrosalicylic acid (3NSA) is generally used as a corrosion inhibitor. It can be used as a supporting electrolyte for the electrodeposition of pyrrole on zinc for corrosion protection. 3NSA can also be used as a ligand for the synthesis of complexes with iron and aluminum for chelating therapy.