HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,5-Dihydro-2-(2-hydroxyphenyl)-4-thiazolecarboxylic acid
65-140 · Dihydroaeruginoic acid · 2'-(2-Hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid · 2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid · 4,5-Dihydro-2-(2-hydroxyphenyl)thiazole-4-carboxylic acid · 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(2-hydroxyphenyl)- · 2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic Acid
Identifikatoren & physikalische Daten
| CAS No. | 49608-51-7 |
|---|---|
| Summenformel | C10H9NO3S |
| Durchschnittliche Molmasse | 223,25 g/mol |
| Monoisotopische Masse | 223,03031432 g/mol |
| SMILES | O=C(O)C1CSC(c2ccccc2O)=N1 |
| InChIKey | CECDPVOEINSAQG-UHFFFAOYSA-N |
| PubChem CID | 98430 |
| ChEMBL | CHEMBL8770 |
| ChEBI | CHEBI:104585 |
| EC No. | 898-941-2 |
| DTXSID | DTXSID201197921 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 292 |
| Siedepunkt | 466.3±55.0 °C(Predicted) |
| Dichte | 1.51±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO: EthanolMethanol |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 1.25±0.40(Predicted) |
| Farbe | Light Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
Anwendungen & Verwendung
Verwenden
2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic Acid is an intermediate in synthesizing Pyochelin I and Pyochelin II (P840365). They are two major siderophores produced and secreted by Pseudomonas aeruginosa PAO1 to assimilate iron. It also has triphenyltin (T809350) decomposition capacity.