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5,8-Dihydroxy-1,4-naphthochinon
NAPHTHAZARIN · 5,8-Dihydroxynaphthoquinone · 5,8-Dihydroxynaphthalene-1,4-dione · Naphthazarone · Naphthazarine · NAPHTHAZALINE · Mordant Black 37 · Naphthazarin (6CI)
Identifikatoren & physikalische Daten
| CAS No. | 475-38-7 |
|---|---|
| Summenformel | C10H6O4 |
| Durchschnittliche Molmasse | 190,15 g/mol |
| Monoisotopische Masse | 190,02660867 g/mol |
| SMILES | O=C1C=CC(=O)c2c(O)ccc(O)c21 |
| InChIKey | RQNVIKXOOKXAJQ-UHFFFAOYSA-N |
| PubChem CID | 10141 |
| ChEMBL | CHEMBL274056 |
| ChEBI | CHEBI:28849 |
| EC No. | 207-495-4 |
| DTXSID | DTXSID00197161 |
| Lokaler Name | 5,8-Dihydroxy-1,4-naphthochinon |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 277 |
| Stoffklassen | Other Uses -> Biochemical Research |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 1.79 |
| Dampfdruck | 0.0000001 [mmHg] |
| Physical Description | Brown solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 220-230 °C(lit.) |
| Siedepunkt | 285.64°C (rough estimate) |
| Dichte | 1.3366 (rough estimate) |
| Brechungsindex | 1.5280 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystaline |
| pKa (Säurekonstante) | 6.98±0.20(Predicted) |
| Farbe | Dark red to Brown |
| Löslichkeit | Soluble in water (5520 mg/L 25.). |
| BRN | 880561 |
| Kosmetik-Inhaltsstoffe Funktionen | COLORANTHAIR CONDITIONING |
| InChI | InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H |
| InChIKey | RQNVIKXOOKXAJQ-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C(O)=CC=C2O)C(=O)C=C1 |
| CAS Datenbank | 475-38-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Naphthalenedione, 5,8-dihydroxy-(475-38-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2914409000 |
| RTECS-Nr. | QL7970000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Herstellung & Synthese
synthetische
1,8-Dinitronaphthalene and 1,5-Dinitronaphthalene mixture or both alone and one of sulfur 40% fuming sulfuric ACID reaction, the product (5, 8 – dihydroxy – naphthoquinone) into Sulfurous acidhydrogen salt.