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HCID 699501Erstellt: 27. Oktober 2026
Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Methyl-3-Oxo-3,4-Dihydro-2H-1, · Methyl 3-Oxo-2H-1,4-benzothiazine-6-carboxylate · methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate · 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid methyl ester · 3-keto-4H-1,4-benzothiazine-6-carboxylic acid methyl ester · Methyl 3,4-dihydro-3-oxo-2H-1,4-benzothiazine-6-carboxylate · Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate · 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
https://huagongshe.com/de/chemical/699501
Identifikatoren & physikalische Daten
| CAS No. | 188614-01-9 |
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| Summenformel | C10H9NO3S |
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| Durchschnittliche Molmasse | 223,25 g/mol |
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| Monoisotopische Masse | 223,03031415 g/mol |
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| SMILES | COC(=O)c1ccc2c(c1)NC(=O)CS2 |
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| InChIKey | UFSVRHNRNVVBJR-UHFFFAOYSA-N |
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| PubChem CID | 699501 |
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| ChEMBL | CHEMBL1541443 |
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| EC No. | 108-794-1 |
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| DTXSID | DTXSID00351403 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 80,7 |
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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 | 282 |
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| Schmelzpunkt | 180-182° |
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| Siedepunkt | 435.7±45.0 °C(Predicted) |
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| Dichte | 1.343±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) | 12.34±0.20(Predicted) |
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| CAS Datenbank | 188614-01-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 Sens. 1 (100%) |
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| Zollcode | 2934999090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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