HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Brom-α,α,α-trifluortoluol
1-bromo-2-(trifluoromethyl)benzene · 1-bromo-2-(trifluoromethyl)-benzen · 2-BromobenzotrifL · 2-Bromobenzotrifluor · 2-Brombenzotrifluorid · Etrasimod Impurity 13 · 2-BROMOBENZOTRIFLUORIDE · 2-BROMOTRIFLUOROTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 392-83-6 |
|---|---|
| Summenformel | C7H4BrF3 |
| Durchschnittliche Molmasse | 225,01 g/mol |
| Monoisotopische Masse | 223,94484689 g/mol |
| SMILES | FC(F)(F)c1ccccc1Br |
| InChIKey | RWXUNIMBRXGNEP-UHFFFAOYSA-N |
| PubChem CID | 9806 |
| EC No. | 206-879-9 |
| DTXSID | DTXSID7059939 |
| Lokaler Name | 2-Brom-α,α,α-trifluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 132 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 149.3-149.6 °C(Solv: ethyl acetate (141-78-6)) |
| Siedepunkt | 167-168 °C(lit.) |
| Dichte | 1.652 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.482(lit.) |
| Flammpunkt | 125 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | Liquid |
| Wichte | 1.652 |
| Farbe | Clear colorless to brown |
| BRN | 1945750 |
| InChI | InChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H |
| InChIKey | RWXUNIMBRXGNEP-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=CC=C1C(F)(F)F |
| CAS Datenbank | 392-83-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-2-(trifluoromethyl)-(392-83-6) |
| EPA chemische Informationen | Benzene, 1-bromo-2-(trifluoromethyl)- (392-83-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (91.7%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29039990 |
| RTECS-Nr. | XS7980000 |
| R-Sätze (R) | 10-36/38-36/37/38 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 16-26-36-37/39 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Bromotrifluorotoluene can be used as an intermediate for dyes, medicines, and pesticides.