3'-Hydroxyacetophenon
1-(3-Hydroxyphenyl)ethan-1-one · 3-HYDROXYACETOPHENONE · Ethanone, 1-(3-hydroxyphenyl)- · 3-ACETYLPHENOL · 3-ACETOPHENOL · 3-Hydroxyacetophenon · M-HYDROXYACETOPHENONE · META-HYDROXYACETOPHENONE
Identifikatoren & physikalische Daten
| CAS No. | 121-71-1 |
|---|---|
| Summenformel | C8H8O2 |
| Durchschnittliche Molmasse | 136,15 g/mol |
| Monoisotopische Masse | 136,0524295 g/mol |
| SMILES | CC(=O)c1cccc(O)c1 |
| InChIKey | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| PubChem CID | 8487 |
| ChEMBL | CHEMBL404719 |
| EC No. | 204-494-0 |
| DTXSID | DTXSID5059533 |
| Lokaler Name | 3'-Hydroxyacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 131 |
| Stoffklassen | Other Classes -> Aromatic Ketones |
| SpringerMaterials Properties | Chemical shift |
| Dampfdruck | 0.00748 [mmHg]0.022Pa at 25℃ |
| Physical Description | White crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 90-95 °C(lit.) |
| Siedepunkt | 296 °C(lit.) |
| Dichte | 1.1 g/mL at 25 °C(lit.) |
| Brechungsindex | 1,534 |
| Flammpunkt | 296°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | 22g/lSoluble in alcohol. Insoluble in water. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 9.19(at 25℃) |
| Farbe | Beige-brown |
| BRN | 2040676 |
| InChI | 1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3 |
| InChIKey | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cccc(O)c1 |
| LogP (Verteilungskoeffizient) | 1.144 at 25℃ |
| CAS Datenbank | 121-71-1(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-(3-hydroxyphenyl)-(121-71-1) |
| EPA chemische Informationen | Ethanone, 1-(3-hydroxyphenyl)- (121-71-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (27.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 156 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18625 |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Acetophenone. |
| Hazard Classes and Categories | Acute Tox. 4 (27.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143990 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) | 22-24/25-37/39-26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Beschreibung
3’-Hydroxyacetophenone is a chemical compound and it is a component of castoreum, the exudate from the castor sacs of the mature beaver. It is used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.
Verwenden
3’Hydroxyacetophenone is a chemical reagent used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.
Herstellung & Synthese
synthetische
Preparation by diazotization of 3-aminoacetophenone, followed by hydrolysis of the obtained diazonium salt (78–82%).