3-Thenoesure
THIOPHENE-3-CARBOXYLIC ACID · 3-THIOPHENECARBOXYLIC ACID · 3-THENOIC ACID · 3-Thenoylic acid · 3-Thiophenecarboxylic · Thiophene-3-carboxylic acid ,99% · S0503 · AKOS 207-06
Identifikatoren & physikalische Daten
| CAS No. | 88-13-1 |
|---|---|
| Summenformel | C5H4O2S |
| Durchschnittliche Molmasse | 128,15 g/mol |
| Monoisotopische Masse | 127,99320037 g/mol |
| SMILES | O=C(O)c1ccsc1 |
| InChIKey | YNVOMSDITJMNET-UHFFFAOYSA-N |
| PubChem CID | 6918 |
| ChEMBL | CHEMBL164585 |
| EC No. | 201-802-5 |
| DTXSID | DTXSID40236745 |
| Lokaler Name | 3-Thenoesure |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 103 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 136-141 °C (lit.) |
| Siedepunkt | 260°C (estimate) |
| Dichte | 1.305 (estimate) |
| Brechungsindex | 1.5160 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | water: soluble0.2g/10 mL, clear to almost clear, colorless to slightly brownish-yellow4.3 g/L (25 ºC) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 4.1(at 25℃) |
| Farbe | White to slightly yellow |
| Merck | 14,9279 |
| BRN | 1994 |
| InChI | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey | YNVOMSDITJMNET-UHFFFAOYSA-N |
| SMILES | C1SC=CC=1C(O)=O |
| CAS Datenbank | 88-13-1(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 9 reports by companies from 6 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 |
| RTECS-Nr. | XM8330300 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26-36 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
3-Thiophenezoic acid is a polymer monomer that can be used to synthesise thiophene derivative polymers, such as the poly(3-thiophene benzoic acid) (PTPA), the copolymer of 3-bromothiophene (BTP) and 3-thiophenezoic acid (TPA). These compounds are an important class of conductive polymers, typically exhibiting favourable electrochemical activity, environmental stability, and ease of processing.
Verwenden
3-Thiophenecarboxylic Acid was used as a lading compound for the development of a clinic useful D-amino acid inhibitor and have the potential to sever as active site proves to elucidate the structure-function relationships of D-amino acids.