HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlorbenzophenon
(3-CHLOROPHENYL)(PHENYL)METHANONE · 3-CHLOROBENZOPHENONE · M-CHLOROBENZOPHENONE · 3-chlroobenzophenone · Cetirizine Impurity S · LABOTEST-BB LT00159867 · Benzophenone, 3-chloro- · Cloperastine Impurity 2
Identifikatoren & physikalische Daten
| CAS No. | 1016-78-0 |
|---|---|
| Summenformel | C13H9ClO |
| Durchschnittliche Molmasse | 216,66 g/mol |
| Monoisotopische Masse | 216,03419259 g/mol |
| SMILES | O=C(c1ccccc1)c1cccc(Cl)c1 |
| InChIKey | CPLWKNRPZVNELG-UHFFFAOYSA-N |
| PubChem CID | 66098 |
| EC No. | 213-809-0 |
| DTXSID | DTXSID70906388 |
| Lokaler Name | 3-Chlorbenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 221 |
| Schmelzpunkt | 85-87 °C(lit.) |
| Siedepunkt | 332°C(lit.) |
| Dichte | 1.1459 (rough estimate) |
| Brechungsindex | 1.5260 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 1869822 |
| InChI | InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H |
| InChIKey | CPLWKNRPZVNELG-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC(Cl)=C1)(C1=CC=CC=C1)=O |
| CAS Datenbank | 1016-78-0(CAS DataBase Reference) |
| NIST chemische Informationen | Methanone, (3-chlorophenyl)phenyl-(1016-78-0) |
| EPA chemische Informationen | 3-Chlorobenzophenone (1016-78-0) |
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 39 reports by companies from 2 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 79 00 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-22-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Chlorobenzophenone is a reagent in the preparation of pharmaceuticals such as antitumor kinesin spindle protein inhibitors.