HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Bromo-3-(trifluoromethoxy)benzene
1-BROMO-3-(TRIFLUOROMETHOXY)BENZENE · 3-Bromo-1-(trifluoromethoxy)benzene · 1-Bromo-3-(trifL · BUTTPARK 91\57-27 · uoromethoxy)benzene · 3-(trifluoromrthoxy)bromobenzene · 3-(TRIFLUOROMETHOXY)BROMOBENZENE · M-BROMO(TRIFLUOROMETHOXY)BENZENE
Identifikatoren & physikalische Daten
| CAS No. | 2252-44-0 |
|---|---|
| Summenformel | C7H4BrF3O |
| Durchschnittliche Molmasse | 241 g/mol |
| Monoisotopische Masse | 239,93976151 g/mol |
| SMILES | FC(F)(F)Oc1cccc(Br)c1 |
| InChIKey | WVUDHWBCPSXAFN-UHFFFAOYSA-N |
| PubChem CID | 519964 |
| EC No. | 670-520-6 |
| DTXSID | DTXSID90334205 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 148 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 156-158 °C |
| Dichte | 1.62 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| Flammpunkt | 145 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.64 |
| BRN | 1945938 |
| InChI | InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H |
| InChIKey | WVUDHWBCPSXAFN-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=CC(OC(F)(F)F)=C1 |
| CAS Datenbank | 2252-44-0(CAS DataBase Reference) |
| NIST chemische Informationen | 3-(Trifluoromethoxy)bromobenzene(2252-44-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (12.5%): 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (12.5%)Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Bromo-3-(trifluoromethoxy)benzene may be used in the preparation of 1,2-dehydro-3-(trifluoromethoxy)benzene. It may be used in the synthesis of new electronically deficient atropisomeric diphosphine ligand (S)-CF3O-BiPhep [2,2′-bis(diphenylphosphino)-6,6′-ditrifluoromethoxy-1,1′-biphenyl].