HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Formyl-2-thiophenecarboxylic Acid
AKOS MSC-0225 · AURORA KA-6755 · 5-FORMYLTHENOIC ACID · 5-formyl-2-thiophenecarboxylate · 2-Formyl-5-thiophenecarboxylic acid · 5-FORMYL-THIOPHEN-2-CARBOXYLIC ACID · 5-Carboxy-2-thiophenecarboxaldehyde · 5-Formyl-2-thiophenecarboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 4565-31-5 |
|---|---|
| Summenformel | C6H4O3S |
| Durchschnittliche Molmasse | 156,16 g/mol |
| Monoisotopische Masse | 155,98811499 g/mol |
| SMILES | O=Cc1ccc(C(=O)O)s1 |
| InChIKey | VFEAMMGYJFFXKV-UHFFFAOYSA-N |
| PubChem CID | 818882 |
| ChEMBL | CHEMBL4280023 |
| EC No. | 671-160-2 |
| DTXSID | DTXSID90355995 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 82,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 157 |
| Schmelzpunkt | 169 °C |
| Siedepunkt | 371.4±27.0 °C(Predicted) |
| Dichte | 1.514±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.05±0.10(Predicted) |
| Farbe | Light yellow to Brown |
| InChI | InChI=1S/C6H4O3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9) |
| InChIKey | VFEAMMGYJFFXKV-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)SC(C=O)=CC=1 |
| CAS Datenbank | 4565-31-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38-36 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
5-Formyl-2-thiophenecarboxylic acid is a thiophene derivative as immunomodulating agents useful in the treatment of autoimmune diseases.