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Tetranatrium-6,6'-((3,3'-dimethyl-(1,1'-biphenyl-4,4'diyl)bis(azo)bis(4-amino-5-hydroxy-1,3-naphthalindisulfonat)
EVANS BLUE C.I. No 23860 · EVANS BLUE TETRASODIUM SALT · t1824 · evablin · CI 23860 · C.I.24075 · DiazoBlue · blue Evan
Identifikatoren & physikalische Daten
| CAS No. | 314-13-6 |
|---|---|
| Summenformel | C34H24N6Na4O14S4 |
| Durchschnittliche Molmasse | 960,8 g/mol |
| Monoisotopische Masse | 959,9824113 g/mol |
| SMILES | Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | ATNOAWAQFYGAOY-UHFFFAOYSA-J |
| PubChem CID | 9409 |
| ChEMBL | CHEMBL1200712 |
| ChEBI | CHEBI:82467 |
| DTXSID | DTXSID9022815 |
| Lokaler Name | Tetranatrium-6,6'-((3,3'-dimethyl-(1,1'-biphenyl-4,4'diyl)bis(azo)bis(4-amino-5-hydroxy-1,3-naphthalindisulfonat) |
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 |
| Lagerbedingungen | Store at RT. |
| Löslichkeit | DMSO (Slightly), Water (Slightly)280 g/L (20 ºC) |
| Aggregatzustand | Powder/Solid |
| Farbe | Dark Brown |
| Merck | 14,3905 |
| Stabilität | Stable. Incompatible with strong reducing agents, strong oxidizing agents. |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChIKey | AFPPOOOTZAGPEB-DVDDBBOFSA-N |
| SMILES | NC1=C(C=C(S(O)(=O)=O)C2=CC=C(/N=N/C3C=CC(C4C=CC(/N=N/C5C=CC6=C(C=C(S(O)(=O)=O)C(N)=C6C=5O)S(O)(=O)=O)=C(C)C=4)=CC=3C)C(O)=C12)S(O)(=O)=O.[NaH] |
| CAS Datenbank | 314-13-6 |
| EPA chemische Informationen | C.I. Direct Blue 53 (314-13-6) |
Sicherheit & Vorschriften
| Regulatorische Informationen | C.I. Direct blue 53: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 32129000 |
| RTECS-Nr. | QJ6440000 |
| R-Sätze (R) | 45-63-11-61-20/21/22 |
| Toxizität | LD50 intraperitoneal in mouse: 340mg/kg |
| Gefahrensymbole | T,F |
| Sicherheitshinweise (S) | 53-45-36/37-16-36/37/39 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Carc. 1B |
Herstellung & Synthese
synthetische
3,3′-Dimethylbenzidine double nitriding, in alkaline conditions and 4-Amino-5-hydroxynaphthalene-1,3-disulfonic acid (2 Moore) coupled.