HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dinatrium-4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalin-1,3-disulfonat
CI 24380 · NS 47753 · c.i.24280 · NSC 47753 · NSC-47753 · amanilbluerw · benzobluerwa · benzobluerws
![Molekülstruktur von Dinatrium-4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalin-1,3-disulfonat](/img/chemical/75752.png)
Identifikatoren & physikalische Daten
| CAS No. | 2586-57-4 |
|---|---|
| Summenformel | C34H25N5Na2O8S2 |
| Durchschnittliche Molmasse | 741,7 g/mol |
| Monoisotopische Masse | 741,09399368 g/mol |
| SMILES | COc1cc(-c2ccc(N=Nc3c(O)ccc4ccccc34)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1.[Na+].[Na+] |
| InChIKey | LRGRYCBPXHHUAU-UHFFFAOYSA-L |
| PubChem CID | 75752 |
| EC No. | 219-964-0 |
| DTXSID | DTXSID80889456 |
| Lokaler Name | Dinatrium-4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalin-1,3-disulfonat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 239 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 14 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 51 |
| Formalladung | 0 |
| Komplexität | 1.280 |
| EPA chemische Informationen | C.I. Direct Blue 22, disodium salt (2586-57-4) |
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: 1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, disodium salt |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, disodium salt: Environment tier I assessment |
| Hazard Classes and Categories | Carcinogenicity - category 1B |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
3,3′-Dimethoxylbenzidine double nitriding, first and 4-Amino-5-hydroxynaphthalene-1,3-disulfonic acidcoupling, and then and Naphthalen-2-ol coupling.