HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thiophene-3,4-dicarboxylic acid
100G,500G,1KG,10KG · 3,4-THIOPHENEDICARBOXYLIC ACID · EA129 · DK7284 · 3,4-Dicarboxythiophene · THIOPHENE-3,4-DICARBOXY · THIOPHENE-3,4-DICARBOXYLATE · Thiophene-3,4-DicarboxylicAci
Identifikatoren & physikalische Daten
| CAS No. | 4282-29-5 |
|---|---|
| Summenformel | C6H4O4S |
| Durchschnittliche Molmasse | 172,16 g/mol |
| Monoisotopische Masse | 171,98302961 g/mol |
| SMILES | O=C(O)c1cscc1C(=O)O |
| InChIKey | ZWWLLYJRPKYTDF-UHFFFAOYSA-N |
| PubChem CID | 255853 |
| EC No. | 808-190-4 |
| DTXSID | DTXSID30292335 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 103 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 227-231 °C |
| Siedepunkt | 272.46°C (rough estimate) |
| Dichte | 1.473 (estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 3.36±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Yellow to beige-pinkish or light brown |
| InChI | InChI=1S/C6H4O4S/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10) |
| InChIKey | ZWWLLYJRPKYTDF-UHFFFAOYSA-N |
| SMILES | C1SC=C(C(O)=O)C=1C(O)=O |
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 5 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 | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Thiophene-3,4-dicarboxylic Acid is used in preparation of dibromo thienofuran dione.