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4-Brom-2-chlor-α,α,α-trifluortoluol
CL026 · 5-Bromo-2-chlorotrifluoride · 2-Chloro-5-bromotrifluorotolue · 3-BROMO-6-CHLOROBENZOTRIFLUORIDE · 5-BROMO-2-CHLOROBENZOTRIFLUORIDE · 2-CHLORO-5-BROMO BENZOTRIFLUORIDE · 5-BROMO-2-CHLORO-BENZENETRIFLUORIDE · 5-Bromo-2-chlorobenzotrifluoride98%
Identifikatoren & physikalische Daten
| CAS No. | 445-01-2 |
|---|---|
| Summenformel | C7H3BrClF3 |
| Durchschnittliche Molmasse | 259,45 g/mol |
| Monoisotopische Masse | 257,90587454 g/mol |
| SMILES | FC(F)(F)c1cc(Br)ccc1Cl |
| InChIKey | XGOCKBMEZPNDPJ-UHFFFAOYSA-N |
| PubChem CID | 67959 |
| EC No. | 207-149-2 |
| DTXSID | DTXSID20196196 |
| Lokaler Name | 4-Brom-2-chlor-α,α,α-trifluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| Schmelzpunkt | -21°C |
| Siedepunkt | 76-81 °C (11 mmHg) |
| Dichte | 1.745 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.507(lit.) |
| Flammpunkt | 178 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.745 |
| Farbe | Clear pale yellow |
| BRN | 2098752 |
| InChI | 1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H |
| InChIKey | XGOCKBMEZPNDPJ-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cc(Br)ccc1Cl |
| CAS Datenbank | 445-01-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 4-bromo-1-chloro-2-(trifluoromethyl)-(445-01-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.9%): 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 47 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 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-27-28-36/37/39 |
| Gefahrenklasse | IRRITANTAquatic Chronic 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
5-Bromo-2-chlorobenzotrifluoride may be used in chemical synthesis studies.