HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 640708Erstellt: 25. Oktober 2026
Ethyl 1,3-benzothiazole-2-carboxylate
RARECHEM AL BI 0472 · (2-Ethoxycarbonyl)benzothiazole · ETHYL BENZOTHIAZOLE-2-CARBOXYLATE · Ethylbenzothiazole-2-carboxylate,98% · 2-(Ethoxycarbonyl)-1,3-benzothiazole · Ethyl Benzothiazole-2-carboxylate >Ethyl 1,3-benzothiazole-2-carboxylate · Ethyl 1,3-benzothiazole-2-carboxylate ,97% · Benzothiazole-2-carboxylic acid ethyl ester
https://huagongshe.com/de/chemical/640708
Identifikatoren & physikalische Daten
| CAS No. | 32137-76-1 |
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| Summenformel | C10H9NO2S |
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| Durchschnittliche Molmasse | 207,25 g/mol |
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| Monoisotopische Masse | 207,03539953 g/mol |
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| SMILES | CCOC(=O)c1nc2ccccc2s1 |
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| InChIKey | VLQLCEXNNGQELL-UHFFFAOYSA-N |
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| PubChem CID | 640708 |
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| ChEMBL | CHEMBL1558989 |
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| EC No. | 642-629-9 |
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| DTXSID | DTXSID00348792 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 67,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 222 |
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| Schmelzpunkt | 68-72 °C |
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| Siedepunkt | 312.8±25.0 °C(Predicted) |
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| Dichte | 1.290±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -1.07±0.10(Predicted) |
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| Farbe | Pale yellow |
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| InChI | InChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3 |
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| InChIKey | VLQLCEXNNGQELL-UHFFFAOYSA-N |
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| SMILES | S1C2=CC=CC=C2N=C1C(OCC)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): 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 2 reports by companies from 2 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 (50%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29349990 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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