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Tetranatrium-3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalin-2,7-disulfonat]
Trypan Blue solution · trypan · Diphenyl Blue · blue3b · blueemb · parkipan · CI 23850 · benzoblue
![Molekülstruktur von Tetranatrium-3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalin-2,7-disulfonat]](/img/chemical/6296.png)
Identifikatoren & physikalische Daten
| CAS No. | 72-57-1 |
|---|---|
| Summenformel | C34H24N6Na4O14S4 |
| Durchschnittliche Molmasse | 960,8 g/mol |
| Monoisotopische Masse | 959,9824113 g/mol |
| SMILES | Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | GLNADSQYFUSGOU-UHFFFAOYSA-J |
| PubChem CID | 6296 |
| ChEMBL | CHEMBL177987 |
| ChEBI | CHEBI:78897 |
| DTXSID | DTXSID4026268 |
| Lokaler Name | Tetranatrium-3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalin-2,7-disulfonat] |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 404 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 20 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 62 |
| Formalladung | 0 |
| Komplexität | 1.790 |
| Human Drugs | Breast FeedingLactationMilk, HumanAzo Compounds |
| Schmelzpunkt | >300 °C (lit.) |
| Dichte | 1.007 g/mL at 20 °C |
| Lagerbedingungen | dry at room temperature |
| Löslichkeit | H2O: soluble10mg/mL10 g/L (25 ºC) |
| Aggregatzustand | Powder |
| Farbe | Dark greenish-brown |
| pH | 9.8 (10g/l, H2O, 20℃) |
| Merck | 14,9792 |
| BRN | 4360496 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | cell analysis |
| InChIKey | GLNADSQYFUSGOU-UHFFFAOYSA-J |
| SMILES | [Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)-c4ccc(N=Nc5c(O)c6c(N)cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)c(C)c4 |
| CAS Datenbank | 72-57-1(CAS DataBase Reference) |
| EPA chemische Informationen | Trypan blue (72-57-1) |
Sicherheit & Vorschriften
| Regulatorische Informationen | C.I. Direct Blue 14: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 32041400 |
| RTECS-Nr. | QJ6475000 |
| R-Sätze (R) | 45-41-37/38-36/37/38-22 |
| Toxizität | LD100 i.v. in rats: 300 mg/kg (Anderson) |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 53-45-36/37/39-36-26 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 72-57-1(Hazardous Substances Data) |
| Gefahrenklasse | Carc. 1B |
Herstellung & Synthese
synthetische
3,3′-Dimethylbenzidine double nitriding, in alkaline conditions and 4-Amino-5-hydroxynaphthalene-2,7-disulfonic acid(2 Moore) coupled.