Identifikatoren & physikalische Daten
| CAS No. | 63995-70-0 |
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| Summenformel | C18H12Na3O9PS3 |
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| Durchschnittliche Molmasse | 568,4 g/mol |
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| Monoisotopische Masse | 567,90741443 g/mol |
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| SMILES | O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1.[Na+].[Na+].[Na+] |
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| InChIKey | MYAJTCUQMQREFZ-UHFFFAOYSA-K |
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| PubChem CID | 6099338 |
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| EC No. | 264-596-6 |
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| DTXSID | DTXSID60213972 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 197 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 9 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 34 |
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| Formalladung | 0 |
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| Komplexität | 768 |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.WarningH315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.9%) |
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