HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 39237Erstellt: 3. November 2026
2-Phenylthiazolidine-4-carboxylic acid
4-carboxy-2-phenylthiazolidine · 2-phenyl-4-thiazolidinecarboxylicaci · 2-phenyl-4-thiazolidinecarboxylicacid · 4-Thiazolidinecarboxylic acid 2-phenyl- · 2-PHENYL-THIAZOLIDINE-4-CARBOXYLIC ACID · 4-THIAZOLIDINECARBOXYLIC ACID, 2-PHENYL- · 2-Phenylthiazolidine-4-carboxylicacid,97% · 2-Phenyl-4-thiazolidine-4-carboxylic acid
https://huagongshe.com/de/chemical/39237
Identifikatoren & physikalische Daten
| CAS No. | 42607-21-6 |
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| Summenformel | C10H11NO2S |
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| Durchschnittliche Molmasse | 209,27 g/mol |
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| Monoisotopische Masse | 209,05104959 g/mol |
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| SMILES | O=C(O)C1CSC(c2ccccc2)N1 |
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| InChIKey | AZDYQBFYMBALBY-UHFFFAOYSA-N |
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| PubChem CID | 39237 |
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| ChEMBL | CHEMBL4578941 |
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| EC No. | 969-434-4 |
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| DTXSID | DTXSID701284363 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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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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| Schmelzpunkt | 178-179°C |
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| Siedepunkt | 433.6±45.0 °C(Predicted) |
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| Dichte | 1.2418 (rough estimate) |
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| Brechungsindex | 1.6800 (estimate) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 1.98±0.40(Predicted) |
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| Farbe | White |
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| Löslichkeit | 941.7mg/L(21 ºC) |
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| Kosmetik-Inhaltsstoffe Funktionen | SKIN PROTECTINGSKIN CONDITIONING |
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| CAS Datenbank | 42607-21-6(CAS DataBase Reference) |
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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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| Zollcode | 2934100090 |
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| Toxizität | mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 149, 1978. |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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