HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 654980Erstellt: 27. Oktober 2026
4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
TIMTEC-BB SBB011421 · 4-(2-Methylthiazol-4-yl) · 4-(2-Methyl-4-thiazolyl)benzoic Acid · 4-(2-Methyl-thiazol-4-yl)-benzoic acid · Benzoic acid, 4-(2-methyl-4-thiazolyl)- · 4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid · 4-(4-Carboxyphenyl)-2-methyl-1,3-thiazole · 4-(2-Methyl-1,3-thiazol-4-yl)benzoicacid97%
https://huagongshe.com/de/chemical/654980
Identifikatoren & physikalische Daten
| CAS No. | 294620-60-3 |
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| Summenformel | C11H9NO2S |
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| Durchschnittliche Molmasse | 219,26 g/mol |
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| Monoisotopische Masse | 219,03539953 g/mol |
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| SMILES | Cc1nc(-c2ccc(C(=O)O)cc2)cs1 |
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| InChIKey | NYJHTTLXERQUIV-UHFFFAOYSA-N |
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| PubChem CID | 654980 |
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| ChEMBL | CHEMBL1623780 |
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| ChEBI | CHEBI:103850 |
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| EC No. | 630-258-5 |
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| DTXSID | DTXSID20349600 |
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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 | 15 |
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| Formalladung | 0 |
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| Komplexität | 239 |
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| Schmelzpunkt | 262.5-268 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
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| Zollcode | 2934100090 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xi,Xn |
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| Gefahrenklasse | IRRITANT |
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