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Thiophene-2,5-dicarbaldehyde
THIOPHENE-2,5-DICARBALDEHYDE · S0509 · 2,5-Thiophenedial · TIMTEC-BB SBB000080 · 2,5-Diformylthiophene · Thiophene-2,5-dialdehyde · 2,5-THIOPHENEDICARBOXALDEHYDE · THIOPHENE-2,5-DICARBOXALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 932-95-6 |
|---|---|
| Summenformel | C6H4O2S |
| Durchschnittliche Molmasse | 140,16 g/mol |
| Monoisotopische Masse | 139,99320037 g/mol |
| SMILES | O=Cc1ccc(C=O)s1 |
| InChIKey | OTMRXENQDSQACG-UHFFFAOYSA-N |
| PubChem CID | 587784 |
| ChEMBL | CHEMBL2229528 |
| EC No. | 627-004-0 |
| DTXSID | DTXSID50343151 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 110 |
| Schmelzpunkt | 115-117 °C (lit.) |
| Siedepunkt | 226.66°C (rough estimate) |
| Dichte | 1.327 (estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | solid |
| InChI | InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H |
| InChIKey | OTMRXENQDSQACG-UHFFFAOYSA-N |
| SMILES | C1(C=O)SC(C=O)=CC=1 |
| NIST chemische Informationen | 2,5-Thiophenedicarboxaldehyde(932-95-6) |
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 41 reports by companies from 4 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 |
| 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
2,5-Thiophenedicarboxaldehyde acts as a reagent in the synthesis of N,N''-bis-(mercaptophenylimine)thiophenedicarboxaldehyde Schiff base, and also functions as an intermediate in many organic synthesis.