Identifikatoren & physikalische Daten
| CAS No. | 15001-44-2 |
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| Summenformel | C6H4ClN3O2S |
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| Durchschnittliche Molmasse | 217,63 g/mol |
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| Monoisotopische Masse | 216,97127505 g/mol |
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| SMILES | [N-]=[N+]=Nc1ccc(S(=O)(=O)Cl)cc1 |
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| InChIKey | XGEZBMWZAWSSIK-UHFFFAOYSA-N |
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| PubChem CID | 548486 |
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| EC No. | 848-036-3 |
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| DTXSID | DTXSID80338333 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 56,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 309 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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 | Skin Corr. 1B (100%) |
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