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2-Bromo-3'-chloroacetophenone
2-BROMO-1-(3-CHLOROPHENYL)ETHAN-1-ONE · 2-bromo-1-(3-chlorophenyl)ethanone · BUTTPARK 41\03-60 · Tuloterol Impurity 9. · CHLOROPHENACYL BROMIDE · Tulobuterol Impurity 9 · Cenobamate Impurity 24 · Tulobuterol Impurity 25
Identifikatoren & physikalische Daten
| CAS No. | 41011-01-2 |
|---|---|
| Summenformel | C8H6BrClO |
| Durchschnittliche Molmasse | 233,49 g/mol |
| Monoisotopische Masse | 231,92905459 g/mol |
| SMILES | O=C(CBr)c1cccc(Cl)c1 |
| InChIKey | KJVRURZDIOVSSQ-UHFFFAOYSA-N |
| PubChem CID | 38738 |
| EC No. | 609-883-2 |
| DTXSID | DTXSID10194000 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| Stoffklassen | Other Classes -> Aromatic Ketones, Halogenated |
| Color/Form | NEEDLES |
| Löslichkeit | SOL IN ALCOHOL |
| Schmelzpunkt | 39.5-40 °C39 °C |
| Physical Description | Solid[HSDB] |
| Siedepunkt | 122-124℃ |
| Dichte | 1.598±0.06 g/cm3(Predicted) |
| Flammpunkt | 110 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Solid |
| InChI | 1S/C8H6BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2 |
| InChIKey | KJVRURZDIOVSSQ-UHFFFAOYSA-N |
| SMILES | Clc1cccc(c1)C(=O)CBr |
| CAS Datenbank | 41011-01-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.3%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritantA lachrymatorMay cause skin sensitization[MSDSonline] See alpha-Chloroacetophenone. |
| Hazard Classes and Categories | Skin Irrit. 2 (95.3%) |
| Unerwünschte Wirkungen | Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3335 |
| Zollcode | 2914790090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Corrosive/Lachrymatory/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-39 |
| Gefahrenklasse | 9Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 41011-01-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
2-Bromo-3'-chloroacetophenone acts as a Substrate used in a one-step preparation of symmetrical 1,4-diketones in the presence of Zn-I2.