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Hydrogen[4-[[4-(dimethylamino)phenyl][2-ethoxy-5-sulfonato-4-(sulfonato-p-toluidino)phenyl]methylen]cyclohexa-2,5-dien-1-yliden]dimethylammonium, Mononatriumsalz
CI 43525 · Xylene Blue BR · Acid Violet 15 · ACID VIOLET 6BN · acidviolet6bn,CI43525 · C.I.Acid Violet 15:C.I.43525 · ACID VIOLET 6BN, C.I. NO.43525 · 5-cyclohexadien-1-ylidene]-n-methyl-)amino]-5-sulfophenyl]methylene]-hydrox
![Molekülstruktur von Hydrogen[4-[[4-(dimethylamino)phenyl][2-ethoxy-5-sulfonato-4-(sulfonato-p-toluidino)phenyl]methylen]cyclohexa-2,5-dien-1-yliden]dimethylammonium, Mononatriumsalz](/img/chemical/164813.png)
Identifikatoren & physikalische Daten
| CAS No. | 1324-50-1 |
|---|---|
| Summenformel | C32H34N3NaO7S2 |
| Durchschnittliche Molmasse | 659,8 g/mol |
| Monoisotopische Masse | 659,17358671 g/mol |
| SMILES | CCOc1cc(Nc2ccc(C)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(N(C)C)cc1.[Na+] |
| InChIKey | WQZNLMYQHGWSHK-UHFFFAOYSA-M |
| PubChem CID | 164813 |
| EC No. | 215-376-3 |
| DTXSID | DTXSID20927664 |
| Lokaler Name | Hydrogen[4-[[4-(dimethylamino)phenyl][2-ethoxy-5-sulfonato-4-(sulfonato-p-toluidino)phenyl]methylen]cyclohexa-2,5-dien-1-yliden]dimethylammonium, Mononatriumsalz |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 159 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 45 |
| Formalladung | 0 |
| Komplexität | 1.260 |
| EPA chemische Informationen | C.I. Acid Violet 15 (1324-50-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
Bis(4-(dimethylamino)phenyl)methanone and N-p-tolyl-m-phenetidineand phosphorus oxychloride, and then converted to the sodium salt disulfonated.