HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 77908Erstellt: 27. Oktober 2026
Benzothiazol-2-yl-2,4-dinitrophenylsulfid
DBM(DIBENZOYL METHANE) · 2-(2,4-DINITROPHENYLTHIO)BENZOTHIAZOLE · Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- · 2-[(2,4-dinitrophenyl)thio]-1,3-benzothiazole · 2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole
https://huagongshe.com/de/chemical/77908
Identifikatoren & physikalische Daten
| CAS No. | 17586-89-9 |
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| Summenformel | C13H7N3O4S2 |
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| Durchschnittliche Molmasse | 333,3 g/mol |
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| Monoisotopische Masse | 332,98779806 g/mol |
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| SMILES | O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 |
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| InChIKey | RCPUUVXIUIWMEE-UHFFFAOYSA-N |
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| PubChem CID | 77908 |
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| EC No. | 224-183-3 |
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| DTXSID | DTXSID0063369 |
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| Lokaler Name | Benzothiazol-2-yl-2,4-dinitrophenylsulfid |
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Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
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| Polarare Oberfläche (TPSA) | 158 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 442 |
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| Schmelzpunkt | 157-159 °C |
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| Siedepunkt | 531.7±60.0 °C(Predicted) |
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| Dichte | 1.63±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | -0.87±0.10(Predicted) |
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| EPA chemische Informationen | Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- (4230-91-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH228 (100%): Flammable solid [Danger Flammable solids]P210, P240, P241, P280, and P370+P378 (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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| Regulatorische Informationen | Chemical: Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Flam. Sol. 2 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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