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Naphthalin-2,6-diol
naphthalene-2,6-diol · 2,6-DIHYDROXYNAPHTHALENE · 2,6-DON · NSC62687 · NSC 62687 · SBB000129 · C.I. 76640 · 37765_FLUKA
Identifikatoren & physikalische Daten
| CAS No. | 581-43-1 |
|---|---|
| Summenformel | C10H8O2 |
| Durchschnittliche Molmasse | 160,17 g/mol |
| Monoisotopische Masse | 160,0524295 g/mol |
| SMILES | Oc1ccc2cc(O)ccc2c1 |
| InChIKey | MNZMMCVIXORAQL-UHFFFAOYSA-N |
| PubChem CID | 93552 |
| ChEMBL | CHEMBL205074 |
| ChEBI | CHEBI:197110 |
| EC No. | 209-465-6 |
| DTXSID | DTXSID7060384 |
| Lokaler Name | Naphthalin-2,6-diol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 140 |
| Stoffklassen | Other Classes -> Naphthols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.9 |
| Dampfdruck | 0.00000715 [mmHg] |
| Physical Description | Beige crystalline solid[Aldrich MSDS] |
| Collision Cross Section | 137 Ų [M-H]- |
| Schmelzpunkt | 223-225 °C(lit.) |
| Siedepunkt | 246.06°C (rough estimate) |
| Dichte | 1.0924 (rough estimate) |
| Brechungsindex | 1.5418 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Soluble in methanol and hot water. Slightly soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.55±0.40(Predicted) |
| Farbe | White to Off-White |
| BRN | 1238082 |
| InChI | 1S/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H |
| InChIKey | MNZMMCVIXORAQL-UHFFFAOYSA-N |
| SMILES | Oc1ccc2cc(O)ccc2c1 |
| CAS Datenbank | 581-43-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2,6-Dihydroxynaphthalene(581-43-1) |
| EPA chemische Informationen | 2,6-Naphthalenediol (581-43-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[Aldrich MSDS] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,6-Dihydroxynaphthalene is used in the preparation of 1,5-dichloro-2,6-diethynylnaphthalenes. It is used to produce convulsions in mice. It exhibits antiproliferative activity towards certain cells. It is also employed in the preparation of the first-generation rotaxane dendrimer. Further, it is used in the production of several dyes, pigments, fluorescent whiteners, tanning agents, antioxidants and antiseptics. In addition to this, it is converted into amines, esters, ethers and carboxylic derivatives.