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1'-Hydroxy-2'-acetonaphthon
2-ACETYL-1-NAPHTHOL · 1-(1-HYDROXY-2-NAPHTHALENYL)ETHANONE · 2-ACETO-1-NAPHTHOL · TIMTEC-BB SBB010063 · RARECHEM BW GA 0421 · LABOTEST-BB LT00068557 · 2-Acetyl-1-naphthol 99% · 2-Acetyl-1-naphthol,99%
Identifikatoren & physikalische Daten
| CAS No. | 711-79-5 |
|---|---|
| Summenformel | C12H10O2 |
| Durchschnittliche Molmasse | 186,21 g/mol |
| Monoisotopische Masse | 186,06807956 g/mol |
| SMILES | CC(=O)c1ccc2ccccc2c1O |
| InChIKey | JBGJVMVWYWUVOW-UHFFFAOYSA-N |
| PubChem CID | 69733 |
| ChEMBL | CHEMBL569194 |
| EC No. | 211-918-8 |
| DTXSID | DTXSID4061044 |
| Lokaler Name | 1'-Hydroxy-2'-acetonaphthon |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 224 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 98-100 °C(lit.) |
| Siedepunkt | 280.69°C (rough estimate) |
| Dichte | 1.1032 (rough estimate) |
| Brechungsindex | 1.6086 (estimate) |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1: 13.40 (30°C) |
| Farbe | Yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 1868084 |
| InChI | InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3 |
| InChIKey | JBGJVMVWYWUVOW-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=C2C(=C1O)C=CC=C2)C |
| EPA chemische Informationen | Ethanone, 1-(1-hydroxy-2-naphthalenyl)- (711-79-5) |
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29145000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-acetyl-1-naphthol and 1-acetyl-2-naphthol with triphosgene gave naphtho[1,2-e]-1,3-oxazines, naphtho[2,1-e]-1,3-oxazines or their spiro dimers depending on the molar ratio of triphosgene used for the cyclization.