HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hydrogen[4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz
CI 42645 · CI NO 42665 · SERVA BLUE W · Acid blue 15 · Water Blue 116 · Lecotan Blue AL · Triacid Blue B. · Vicoacid Blue 15
![Molekülstruktur von Hydrogen[4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz](/img/chemical/22151.png)
Identifikatoren & physikalische Daten
| CAS No. | 5863-46-7 |
|---|---|
| Summenformel | C42H46N3NaO6S2 |
| Durchschnittliche Molmasse | 776 g/mol |
| Monoisotopische Masse | 775,27257282 g/mol |
| SMILES | CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)c(C)c1.[Na+] |
| InChIKey | IXNUVCLIRYUKFB-UHFFFAOYSA-M |
| PubChem CID | 22151 |
| EC No. | 227-511-3 |
| DTXSID | DTXSID20974173 |
| Lokaler Name | Hydrogen[4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 141 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 54 |
| Formalladung | 0 |
| Komplexität | 1.410 |
| Dichte | 1.342[at 20℃] |
| LogP (Verteilungskoeffizient) | -1.43 at 20℃ |
| CAS Datenbank | 5863-46-7 |
| EPA chemische Informationen | Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (5863-46-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 38.9% (7 of 18) of reports.H411 (61.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium saltREACH registered substance: Hydrogen [4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt (EC: 227-511-3) |
| Hazard Classes and Categories | Aquatic Chronic 2 (61.1%) |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
Formaldehyde(1 Moore) and N,N-diethyl-3-methylbenzenamine (2 Moore) condensation, and then in 3-(Ethyl(phenyl)amino)methyl)benzenesulfonic acidwith heavy chromate acid oxidation.