HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-5-fluorobenzotrifluoride
1-BROMO-4-FLUORO-2-(TRIFLUOROMETHYL)BENZENE · 5-(N-hydroxyethy0)-amino · 2-BROMO-5-FLUOROBENZOTRIFLUORIDE · 5-fluoro-2-bromobenzoTrifluoride · 2-bromo-5-fluorotrifluorotoluene · 2-Bromo-Α,Α,Α,5-Tetrafluorotoluene · 2-Bromo-5-fluorobenzotrifluoride 97% · 2-Bromo-5-fluorobenzotrifluoride >2-Bromo-5-fluorobenzotrifluoride, 97+%
Identifikatoren & physikalische Daten
| CAS No. | 40161-55-5 |
|---|---|
| Summenformel | C7H3BrF4 |
| Durchschnittliche Molmasse | 243 g/mol |
| Monoisotopische Masse | 241,93542508 g/mol |
| SMILES | Fc1ccc(Br)c(C(F)(F)F)c1 |
| InChIKey | AIDVAZGOACECLJ-UHFFFAOYSA-N |
| PubChem CID | 520983 |
| EC No. | 670-304-1 |
| DTXSID | DTXSID20334516 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 156 |
| Siedepunkt | 136-143 °C(lit.) |
| Dichte | 1.695 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.465(lit.) |
| Flammpunkt | 147 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| BRN | 2643544 |
| InChI | InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H |
| InChIKey | AIDVAZGOACECLJ-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(F)C=C1C(F)(F)F |
| CAS Datenbank | 40161-55-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Bromo-5-fluorobenzotrifluoride(40161-55-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 7 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 | 29039990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-fluorobenzotrifluoride is an organofluorobenzene compound mainly used as an organic reagent and pharmaceutical intermediate, and can be used as a starting material for the preparation of HSD-016. HSD-016 inhibits 11β-hydroxysteroid dehydrogenase (11β-HSD1) to convert cortisone into cortisol for the development of drugs for the treatment of type 2 diabetes.