HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Trinatrium5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfonato-2-naphthyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylat
C.I.31885 · Direct Brown 52 · Trifon Olive BN · Pyrazol Brown TB · C.I.Direct Brown 52 · C.I.Direct Brown 52:C.I.31885 · C.I. Direct brown 52, trisodium salt · trisodium 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate
![Molekülstruktur von Trinatrium5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfonato-2-naphthyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylat](/img/chemical/160847.png)
Identifikatoren & physikalische Daten
| CAS No. | 6505-12-0 |
|---|---|
| Summenformel | C37H27N8Na3O10S2 |
| Durchschnittliche Molmasse | 876,8 g/mol |
| Monoisotopische Masse | 876,09846428 g/mol |
| SMILES | Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N=Nc5ccc(N)cc5N)c4c3O)c(C)c2)ccc1N=Nc1ccc(O)c(C(=O)[O-])c1.[Na+].[Na+].[Na+] |
| InChIKey | KORMHKTWOJTCBN-UHFFFAOYSA-K |
| PubChem CID | 160847 |
| EC No. | 229-387-6 |
| DTXSID | DTXSID40889558 |
| Lokaler Name | Trinatrium5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfonato-2-naphthyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 338 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 18 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 60 |
| Formalladung | 0 |
| Komplexität | 1.680 |
| EPA chemische Informationen | C.I. Direct Brown 52, trisodium salt (6505-12-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt: Environment tier I assessment |
| Hazard Classes and Categories | Carcinogenicity - category 1B |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
3,3′-Dimethylbenzidine double nitriding,first coupled with 2-Hydroxybenzoic acid, and then in alkaline conditions and 4-Amino-5-hydroxynaphthalene-2,7-disulfonic acidcoupling, its product to diazo, and Benzene-1,3-diamine coupling.