HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 944813Erstellt: 24. Oktober 2026
5-phenyl-1,3-thiazole-4-carboxylic Acid
5-Phenylthiazole-4-carboxylic acid · 5-phenyl-4-Thiazolecarboxylic acid · 4-Thiazolecarboxylic acid, 5-phenyl- · 5-phenyl-1,3-thiazole-4-carboxylic acid
https://huagongshe.com/de/chemical/944813
Identifikatoren & physikalische Daten
| CAS No. | 13743-14-1 |
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| Summenformel | C10H7NO2S |
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| Durchschnittliche Molmasse | 205,23 g/mol |
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| Monoisotopische Masse | 205,01974946 g/mol |
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| SMILES | O=C(O)c1ncsc1-c1ccccc1 |
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| InChIKey | BIIMZWZUYMBFEV-UHFFFAOYSA-N |
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| PubChem CID | 944813 |
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| ChEMBL | CHEMBL1549868 |
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| EC No. | 852-880-8 |
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| DTXSID | DTXSID20359143 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 78,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 216 |
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| Löslichkeit | 29.1 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 157-158 °C |
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| Siedepunkt | 381.9±22.0 °C(Predicted) |
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| Dichte | 1.368±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.25±0.10(Predicted) |
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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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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