HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitrothiophene-2-carboxylic acid
4-nitrothiophene-2-carboxylic acid · AKOS 93842 · 4-Nitro-2-thiophenecarboxylic acid · 2-Thiophenecarboxylic acid, 4-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 13138-70-0 |
|---|---|
| Summenformel | C5H3NO4S |
| Durchschnittliche Molmasse | 173,15 g/mol |
| Monoisotopische Masse | 172,97827858 g/mol |
| SMILES | O=C(O)c1cc([N+](=O)[O-])cs1 |
| InChIKey | SZHKHACZQDMGGI-UHFFFAOYSA-N |
| PubChem CID | 268680 |
| EC No. | 893-331-2 |
| DTXSID | DTXSID80296383 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| 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 °C |
| Siedepunkt | 383.3±27.0 °C(Predicted) |
| Dichte | 1.676±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C(protect from light) |
| pKa (Säurekonstante) | 2.81±0.10(Predicted) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
4-Nitro-2-thiophenecarboxylic Acid, is an intermediate in the synthesis of pharmaceutical compounds. It is utilized in the preparation of highly potent and selective hetaryl ureas as integrin αVβ3-Receptor antagonists.