HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5,6,7,8-Tetrahydro-1-naphthol
5,6,7,8-Tetrahydronaphthalen-1-ol · 1-Naphthalenol, 5,6,7,8-tetrahydro- · tetralin-5-ol · 5-Hydroxytetralin · Tetrahydro-alpha-naphthol · 5,6,7,8-Tetrahydronaphthol · 5,6,7,8-TETRAHYDRO-1-NAPTHOL · 5,6,7,8-TETRAHYDRO-1-NAPHTHOL
Identifikatoren & physikalische Daten
| CAS No. | 529-35-1 |
|---|---|
| Summenformel | C10H12O |
| Durchschnittliche Molmasse | 148,2 g/mol |
| Monoisotopische Masse | 148,088815 g/mol |
| SMILES | Oc1cccc2c1CCCC2 |
| InChIKey | SCWNNOCLLOHZIG-UHFFFAOYSA-N |
| PubChem CID | 68258 |
| ChEMBL | CHEMBL449132 |
| ChEBI | CHEBI:45900 |
| EC No. | 208-461-1 |
| DTXSID | DTXSID8074570 |
| Lokaler Name | 5,6,7,8-Tetrahydro-1-naphthol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 133 |
| SpringerMaterials Properties | Surface tension |
| Schmelzpunkt | 69-71 °C(lit.) |
| Siedepunkt | 264-265 °C705 mm Hg(lit.) |
| Dichte | 1.0556 |
| Brechungsindex | 1.5000 (estimate) |
| Flammpunkt | 264-265°C/705mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pK1:10.28 (25°C) |
| Farbe | Off-White to Pale Orange |
| BRN | 1865081 |
| InChI | InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2 |
| InChIKey | SCWNNOCLLOHZIG-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(CCCC2)=CC=C1 |
| CAS Datenbank | 529-35-1(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Naphthalenol, 5,6,7,8-tetrahydro- (529-35-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 135 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Naphthalenol, 5,6,7,8-tetrahydro-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29071990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
5,6,7,8-Tetrahydro-1-naphthalenol was used as a reagent in the synthesis of phosphonamidate and phosphonodiamidate prodrugs of adefovir and tenofovir which are used in the treatment of HIV infections. Also used in the synthesis of tetrahydronaphthalene-1-ol derivatives which were found to be promising potent antitumor agents.