HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 760993Erstellt: 26. Oktober 2026
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
SBB007498 · SMR000278331 · BAS 13090967 · MLS000716814 · Oprea1_286767 · CBDivE_002679 · AN-829/25059005 · 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
https://huagongshe.com/de/chemical/760993
Identifikatoren & physikalische Daten
| CAS No. | 272437-84-0 |
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| Summenformel | C9H7NO3S |
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| Durchschnittliche Molmasse | 209,22 g/mol |
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| Monoisotopische Masse | 209,01466408 g/mol |
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| SMILES | O=C1CSc2ccc(C(=O)O)cc2N1 |
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| InChIKey | NBIVLYUEDPRLGI-UHFFFAOYSA-N |
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| PubChem CID | 760993 |
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| ChEMBL | CHEMBL1391155 |
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| EC No. | 844-271-0 |
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| DTXSID | DTXSID00353987 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 91,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 269 |
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| Löslichkeit | >31.4 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 483.9±45.0 °C(Predicted) |
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| Dichte | 1.485±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 3.82±0.20(Predicted) |
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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 | 2934999090 |
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| Gefahrenklasse | IRRITANT |
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