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Naphthalin-1-thiol
naphthalene-1-thiol · AI314854 · AI3 14854 · AI3-14854 · 1-THIONAPHTOL · 1-THIONAPHTHOL · 1-Naphthylthiol · α-Naphthalenethiol
Identifikatoren & physikalische Daten
| CAS No. | 529-36-2 |
|---|---|
| Summenformel | C10H8S |
| Durchschnittliche Molmasse | 160,24 g/mol |
| Monoisotopische Masse | 160,03467126 g/mol |
| SMILES | Sc1cccc2ccccc12 |
| InChIKey | SEXOVMIIVBKGGM-UHFFFAOYSA-N |
| PubChem CID | 68259 |
| ChEMBL | CHEMBL4094874 |
| EC No. | 208-462-7 |
| DTXSID | DTXSID6060185 |
| Lokaler Name | Naphthalin-1-thiol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 133 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | 15 °C |
| Siedepunkt | 131 °C (5 mmHg) |
| Dichte | 1.15 |
| Brechungsindex | 1.679-1.681 |
| Flammpunkt | >110°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 6+-.0.30(Predicted) |
| Farbe | Clear light yellow to yellow |
| Löslichkeit | Soluble in diethyl ether and ethanol. Slightly soluble in water and dilute alkalis. |
| InChI | InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H |
| InChIKey | SEXOVMIIVBKGGM-UHFFFAOYSA-N |
| SMILES | C1(S)=C2C(C=CC=C2)=CC=C1 |
| EPA chemische Informationen | 1-Naphthalenethiol (529-36-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29309099 |
| R-Sätze (R) | 20/21/22-36/37/38-51-22 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 24/25-61 |
| Lagerklasse | 12 - Non Combustible Liquids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
1-Thionaphthol is used to produce the di-[1]naphthyl disulfide. It is also used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.