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Dinatrium-4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2,6-disulfonat
ACID BLUE 45 · Blue 45 · I 63010 · CI 63010 · Blue E-BL · CI NO 63010 · eloxonbluerl · eriocyanines
Identifikatoren & physikalische Daten
| CAS No. | 2861-02-1 |
|---|---|
| Summenformel | C14H8N2Na2O10S2 |
| Durchschnittliche Molmasse | 474,3 g/mol |
| Monoisotopische Masse | 473,94157502 g/mol |
| SMILES | Nc1cc(S(=O)(=O)[O-])c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)[O-])cc(N)c1C2=O.[Na+].[Na+] |
| InChIKey | WSALIDVQXCHFEG-UHFFFAOYSA-L |
| PubChem CID | 72278 |
| EC No. | 220-678-3 |
| DTXSID | DTXSID90889462 |
| Lokaler Name | Dinatrium-4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2,6-disulfonat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 258 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 791 |
| Schmelzpunkt | >300 °C(lit.) |
| Dichte | 1.831g/cm3 at 20.08℃ |
| Lagerbedingungen | Amber Vial, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Methanol (Slightly), Water (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Purple to Very Dark Purple |
| LogP (Verteilungskoeffizient) | -3.05 at 23℃ and pH10.7 |
| CAS Datenbank | 2861-02-1 |
| EPA chemische Informationen | Disodium 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonate (2861-02-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.2% (26 of 2117) of reports.WarningH302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2117 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, disodium saltREACH registered substance: Disodium 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulphonate (EC: 220-678-3)2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, disodium salt: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (94.9%) |
| Protective Action Criteria (PAC) | 4.8 [mg/m3]52 [mg/m3]310 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| RTECS-Nr. | CB0548500 |
| Toxizität | mouse,LD50,oral,2900mg/kg (2900mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 92, 1988. |
| Sicherheitshinweise (S) | 24/25 |
Herstellung & Synthese
synthetische
(a) 1,5-Dihydroxyanthracene-9,10-dionestlfonation, again nitrification generated two sulfonic acid, then use the method reduction; (b) use sodium hydrogen sulfite deal with 1,5-Dihydroxy-2,6-dichloro-4,8-dinitroanthraquinoneor1,5-dihydroxy-2,6-dichloro-4,8-dinitro anthraquinone;(C) in the presence of copper with ammonia processing 2,4,6,8-Tetrabromo-1,5-dihydroxyanthracene-9,10-dione or 1,5-dihydroxy-4,8-dichloro-anthraquinone-2,6-disulfonic acid.