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Naphthalin-1,5-diol
1,5-DIHYDROXYNAPHTHALENE · Naphthalene-1,5-diol · 1,5-NAPHTHALENEDIOL · CI 76625 · c.i.76625 · C.I. 76625 · oxidationbase · Oxidation Base
Identifikatoren & physikalische Daten
| CAS No. | 83-56-7 |
|---|---|
| Summenformel | C10H8O2 |
| Durchschnittliche Molmasse | 160,17 g/mol |
| Monoisotopische Masse | 160,0524295 g/mol |
| SMILES | Oc1cccc2c(O)cccc12 |
| InChIKey | BOKGTLAJQHTOKE-UHFFFAOYSA-N |
| PubChem CID | 6749 |
| ChEMBL | CHEMBL204658 |
| EC No. | 201-487-4 |
| DTXSID | DTXSID2052574 |
| Lokaler Name | Naphthalin-1,5-diol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| 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 |
| Kosmetika | Hair dyeing |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.82 |
| Löslichkeit | Solubility in water, g/100ml at 20 °C: 0.060.6g/lSoluble in water. |
| Flammpunkt | 252 °C252 °C c.c.252°C |
| Decomposition | 250 °C |
| Dampfdruck | 0.00000715 [mmHg]0-0Pa at 25℃ |
| Physical Description | Orange powder[ICSC]ORANGE POWDER. |
| Collision Cross Section | 131.0 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2052574]134.35 Ų [M-H]- [CCS Type: DTMethod: stepped-field]133.2 Ų [M-H]- |
| Schmelzpunkt | 259-261 °C (dec.) (lit.) |
| Siedepunkt | 246.06°C (rough estimate) |
| Dichte | 1.0924 (rough estimate) |
| Brechungsindex | 1.5418 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 9.28±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Beige to Very Dark Brown |
| pH | 6 (0.5g/l, H2O, 20℃) |
| BRN | 2044951 |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | 1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H |
| InChIKey | BOKGTLAJQHTOKE-UHFFFAOYSA-N |
| SMILES | Oc1cccc2c(O)cccc12 |
| LogP (Verteilungskoeffizient) | 1.7-1.82 at 23℃ |
| CAS Datenbank | 83-56-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1,5-Naphthalenediol(83-56-7) |
| EPA chemische Informationen | 1,5-Naphthalenediol (83-56-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.7% (1 of 153) of reports.WarningH302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,5-NaphthalenediolStatus: Active Update: 25-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/273201,5-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,5-Naphthalenediol: Human health tier II assessment |
| Brandgefahren | Combustible. |
| Gefahrenübersicht | A mild eye irritant[ICSC] A skin and eye irritantMay be harmful if ingested[MSDSonline] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol. |
| Chemical Dangers | On combustion, forms toxic fumes. Reacts with strong oxidants. |
| Hazard Classes and Categories | Acute Tox. 4 (77.8%)Acute toxicity - category 4 |
| Brandbekämpfung | Use water spray, powder. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. |
| Sichere Lagerung | Separated from strong oxidants. |
| Verschüttetes entsorgen | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use local exhaust or breathing protection. |
| Effects of Short Term Exposure | The substance is mildly irritating to the eyes. |
| Expositionspfade | The substance can be absorbed into the body by ingestion. |
| Signs and Symptoms | Redness. |
| F | 8-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29072900 |
| RTECS-Nr. | QJ4740000 |
| R-Sätze (R) | 22-51/53-36-36/37/38 |
| Gefahrensymbole | Xn,N,Xi |
| Sicherheitshinweise (S) | 22-24/25-61-39-29-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1B |
Anwendungen & Verwendung
Verwenden
1,5-Dihydroxynaphthalene is an intermediate of synthetic mordant azo dyes. It is an intermediate used in organic synthesis, pharmaceuticals, dyestuff fields and photograph industry. It is used as a coupling component in azo dyes as exemplified in the metallizable (Cr) wool dye, C.I. Mordant Black 9.