HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromo-2-fluorobenzotrifluoride
4-BROMO-1-FLUORO-2-(TRIFLUOROMETHYL)BENZENE · 5-BROMO-2-FLUOROBENZOTRIFLUORIDE · 4-FLUOR · 5-BROMO-2-FLUORO- · 5-Bromo-2-Fluorobenzotrifluori · 5-Bromo-2-florobenzotrifluoride · 2-FLUORO-5-BROMO BENZOTRIFLUORIDE · 5-Bromo-2-fluorobenzotrifluoride97%
Identifikatoren & physikalische Daten
| CAS No. | 393-37-3 |
|---|---|
| Summenformel | C7H3BrF4 |
| Durchschnittliche Molmasse | 243 g/mol |
| Monoisotopische Masse | 241,93542508 g/mol |
| SMILES | Fc1ccc(Br)cc1C(F)(F)F |
| InChIKey | AJLIJYGWAXPEOK-UHFFFAOYSA-N |
| PubChem CID | 2736325 |
| EC No. | 642-871-5 |
| DTXSID | DTXSID10371278 |
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 |
| Schmelzpunkt | 203 °C(Solv: hexane (110-54-3)) |
| Siedepunkt | 79-80 °C/50 mmHg (lit.) |
| Dichte | 1.72 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.720 |
| Farbe | Clear colorless to pale yellow |
| Löslichkeit | Soluble in water 700 g/L (20°C) |
| BRN | 2643550 |
| InChI | InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H |
| InChIKey | AJLIJYGWAXPEOK-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=C(Br)C=C1C(F)(F)F |
| CAS Datenbank | 393-37-3(CAS DataBase Reference) |
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 11 reports by companies from 6 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) | 23-24/25-36-26-37 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Pharmaceutical Intermediates.