HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 138928Erstellt: 27. Oktober 2026
2-Phenyl-4-carboxythiazole
0/2/13 · Compound Fr13668 · BUTTPARK 98\12-39 · RARECHEM AL BE 1318 · 4-Carboxy-2-phenyl-1,3-thiazole · 2-PHENYLTHIAZOLE-4-CARBOXYLIC ACID · 2-Phenyl-4-thiazolecarboxylic acid · 4-Thiazolecarboxylic acid, 2-phenyl-
https://huagongshe.com/de/chemical/138928
Identifikatoren & physikalische Daten
| CAS No. | 7113-10-2 |
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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)c1csc(-c2ccccc2)n1 |
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| InChIKey | IBUSLNJQKLZPNR-UHFFFAOYSA-N |
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| PubChem CID | 138928 |
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| ChEMBL | CHEMBL1406848 |
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| EC No. | 874-011-1 |
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| DTXSID | DTXSID60221330 |
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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 | 28.2 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 175-177°C |
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| Siedepunkt | 420.5±37.0 °C(Predicted) |
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| Dichte | 1.368 |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | crystalline powder |
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| pKa (Säurekonstante) | 3.46±0.10(Predicted) |
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| Farbe | Off-white |
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| CAS Datenbank | 7113-10-2(CAS DataBase Reference) |
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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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 29349990 |
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| R-Sätze (R) | 36/37/38-36-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
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| Gefahrenklasse | IRRITANT |
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