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2,2'-Dihydroxybenzophenon
Bis(2-hydroxyphenyl)methanone · AURORA KA-485 · 2,2'-Dihydroxybenzophenone · Benzophenone, 2,2'-dihydroxy- · 2,2'-Dihydroxybenzophenone >2,2'-Dihydroxybenzophenone 98% · Methanone,bis(2-hydroxyphenyl)- · Methanone, bis(2-hydroxyphenyl)- · Bis-(2-hydroxy-phenyl)-methanone
Identifikatoren & physikalische Daten
| CAS No. | 835-11-0 |
|---|---|
| Summenformel | C13H10O3 |
| Durchschnittliche Molmasse | 214,22 g/mol |
| Monoisotopische Masse | 214,06299418 g/mol |
| SMILES | O=C(c1ccccc1O)c1ccccc1O |
| InChIKey | YIYBRXKMQFDHSM-UHFFFAOYSA-N |
| PubChem CID | 70038 |
| ChEMBL | CHEMBL124241 |
| ChEBI | CHEBI:34209 |
| EC No. | 212-639-4 |
| DTXSID | DTXSID8022404 |
| Lokaler Name | 2,2'-Dihydroxybenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 228 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 2.66 |
| Schmelzpunkt | 61-62.5 °C(lit.) |
| Siedepunkt | 333°C (estimate) |
| Dichte | 1.1956 (rough estimate) |
| Brechungsindex | 1.5090 (estimate) |
| Lagerbedingungen | RT, stored under nitrogen |
| Löslichkeit | almost transparency in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 7.32±0.30(Predicted) |
| Farbe | Light yellow to Yellow to Green |
| InChI | InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H |
| InChIKey | YIYBRXKMQFDHSM-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1O)(C1=CC=CC=C1O)=O |
| CAS Datenbank | 835-11-0(CAS DataBase Reference) |
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 40 reports by companies from 3 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 |
| Zollcode | 2914.50.3000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Herstellung & Synthese
synthetische
Preparation by diazotization of 4,4′-diamino-2,2′- di-hydroxybenzophenone in diluted hydrochloric acid, followed by treatment with 50% phosphorous acid at 0° for 1 h, then at r.t. for 24 h (34%).