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Dinatrium-4,4'-[1,3-phenylenbis[azo(4,6-diamino-3,1-phenylen)azo]]bis(benzolsulfonat)
DirectBrown3G · C.I.DirectBrown44 · VTEBSADXXKSKOE-HJHBPSPHSA-L · Direct brown 44 (C.I. 35005) · C.I.Direct Brown 44:C.I.35005 · Direct Brown 44 ISO 9001：2015 REACH · Direct Brown N-D3G, Direct Brown 2 27 · disodium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis(benzenesulphonate)
![Molekülstruktur von Dinatrium-4,4'-[1,3-phenylenbis[azo(4,6-diamino-3,1-phenylen)azo]]bis(benzolsulfonat)](/img/chemical/80398.png)
Identifikatoren & physikalische Daten
| CAS No. | 6252-62-6 |
|---|---|
| Summenformel | C30H24N12Na2O6S2 |
| Durchschnittliche Molmasse | 758,7 g/mol |
| Monoisotopische Masse | 758,11785744 g/mol |
| SMILES | Nc1cc(N)c(N=Nc2cccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)[O-])cc4)c(N)cc3N)c2)cc1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+] |
| InChIKey | VTEBSADXXKSKOE-UHFFFAOYSA-L |
| PubChem CID | 80398 |
| EC No. | 228-375-8 |
| DTXSID | DTXSID6064165 |
| Lokaler Name | Dinatrium-4,4'-[1,3-phenylenbis[azo(4,6-diamino-3,1-phenylen)azo]]bis(benzolsulfonat) |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 334 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 18 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 52 |
| Formalladung | 0 |
| Komplexität | 1.310 |
| EPA chemische Informationen | Benzenesulfonic acid, 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis-, disodium salt (6252-62-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 63% (17 of 27) of all reports.WarningH315 (37%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 27 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenesulfonic acid, 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis-, disodium salt |
| Hazard Classes and Categories | Skin Irrit. 2 (37%) |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
2 moles of nitrous acid treatment with 3 moles of Benzene-1,3-diaminedihydrochloride (This product may be based on the disazo dye mixture as the main ingredient, and commercial dyes are usually composed by a dihydrochloride). And its product (C.I. Basic Brown 1, C.I. 21000)as coupling component and diazotized 4-Aminobenzenesulfonic acid (2 mol) coupling