HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2'-Hydroxybenzophenone
Hydroxybenzophenone · 2-BENZOYLPHENOL · O-BENZOYLPHENOL · 2-Chloro-4’4-Chloro-4’3-Chloro-4’4-Hydroxy-4’-methoxybenzophenone · 2-HYDROXYBENZOPHENONE · O-HYDROXYBENZOPHENONE
Identifikatoren & physikalische Daten
| CAS No. | 117-99-7 |
|---|---|
| Summenformel | C13H10O2 |
| Durchschnittliche Molmasse | 198,22 g/mol |
| Monoisotopische Masse | 198,06807956 g/mol |
| SMILES | O=C(c1ccccc1)c1ccccc1O |
| InChIKey | HJIAMFHSAAEUKR-UHFFFAOYSA-N |
| PubChem CID | 8348 |
| ChEMBL | CHEMBL24743 |
| EC No. | 204-226-2 |
| DTXSID | DTXSID5047879 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 219 |
| Dampfdruck | 0.00001 [mmHg] |
| Physical Description | Powdermp = 37-39 deg C[Alfa Aesar MSDS] |
| Collision Cross Section | 143.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5047879] |
| Schmelzpunkt | 37-39 °C (lit.) |
| Siedepunkt | 171-173 °C/12 mmHg (lit.) |
| Dichte | 1.1184 (rough estimate) |
| Brechungsindex | 1.5954 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 8.07±0.30(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Yellow |
| Löslichkeit | insoluble |
| BRN | 1638174 |
| InChI | InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H |
| InChIKey | HJIAMFHSAAEUKR-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1O)(C1=CC=CC=C1)=O |
| CAS Datenbank | 117-99-7(CAS DataBase Reference) |
| NIST chemische Informationen | Methanone, (2-hydroxyphenyl)phenyl-(117-99-7) |
| EPA chemische Informationen | Methanone, (2-hydroxyphenyl)phenyl- (117-99-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Methanone, (2-hydroxyphenyl)phenyl-Methanone, (2-hydroxyphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Benzophenone. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29145000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Hydroxybenzophenone was used to quantify the metabolites of unmethylated extracts from the supernatants of Pseudomonas acidovorans cultures grown on 1,1-diphenylethylene.
Herstellung & Synthese
synthetische
Preparation by Friedel–Crafts acylation of benzene in the presence of aluminium chloride, with 2-hydroxybenzoyl chloride (salicylic acid chloride), (52%), (39%), at temperature with o-anisoyl chloride. Demethylation occurred during the Friedel–Crafts acylation, especially in the presence of ferric chloride at 130–140°; with 2-ethoxybenzoyl chloride in a boiling water bath (42%).