HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Nitro-2-thenoic acid
BUTTPARK 121\04-13 · 5 - nitro-thiophene · RARECHEM AL BO 0544 · 5-Nitro-2-thenoic acid · 2-Carboxy-5-nitrothiophe · 2-Carboxy-5-nitrothiophene · 5-nitro-2-thiophenecarboxylic · 5-Nitro-2-ThiphenecarboxylicAcid
Identifikatoren & physikalische Daten
| CAS No. | 6317-37-9 |
|---|---|
| Summenformel | C5H3NO4S |
| Durchschnittliche Molmasse | 173,15 g/mol |
| Monoisotopische Masse | 172,97827858 g/mol |
| SMILES | O=C(O)c1ccc([N+](=O)[O-])s1 |
| InChIKey | UNEPVPOHGXLUIR-UHFFFAOYSA-N |
| PubChem CID | 80591 |
| EC No. | 228-654-4 |
| DTXSID | DTXSID40212509 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 111 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 189 |
| Schmelzpunkt | 154-159℃ |
| Siedepunkt | 367.2±27.0 °C(Predicted) |
| Dichte | 1.676±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.69±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale yellow |
| InChIKey | UNEPVPOHGXLUIR-UHFFFAOYSA-N |
| CAS Datenbank | 6317-37-9(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 3 reports by companies from 3 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 | 29349990 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
5-Nitrothiophene-2-carboxylic Acid is a reagent used in the preparation of benzothiophene amides which fuctions as nicotinamide ribosyltransferase inhibitors with potential antitumor and anticancer activities. It also functions as an intermediate in varying organic transformations.