HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Brom-1-chlor-4-(trifluormethyl)benzol
2-BROMO-1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE · 3-Bromo-4-Chlorobenzotrifuoride · 3-Bromo-4-chluobenzotrifluoride · 3-beomo-4-chlorobenzotrifluoride · 4-Chloro-3-bromobenzotrifluoride · 3-BROMO-4-CHLOROBENZOTRIFLUORIDE · 3-Bormo-4-chlorobenzotrifluoride · 3-Bromo-4-chlorobenzotrifluoride97%
Identifikatoren & physikalische Daten
| CAS No. | 454-78-4 |
|---|---|
| Summenformel | C7H3BrClF3 |
| Durchschnittliche Molmasse | 259,45 g/mol |
| Monoisotopische Masse | 257,90587454 g/mol |
| SMILES | FC(F)(F)c1ccc(Cl)c(Br)c1 |
| InChIKey | APSISOSWYXCEQX-UHFFFAOYSA-N |
| PubChem CID | 67988 |
| EC No. | 207-226-0 |
| DTXSID | DTXSID80196495 |
| Lokaler Name | 2-Brom-1-chlor-4-(trifluormethyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | −23-−22 °C(lit.) |
| Siedepunkt | 188-190 °C(lit.) |
| Dichte | 1.726 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.499(lit.) |
| Flammpunkt | 202 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.726 |
| Farbe | Clear very slightly yellow |
| BRN | 1638470 |
| InChI | InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H |
| InChIKey | APSISOSWYXCEQX-UHFFFAOYSA-N |
| SMILES | C(F)(F)(F)C1=CC=C(Cl)C(Br)=C1 |
| CAS Datenbank | 454-78-4(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Bromo-4-chlorobenzotrifluoride(454-78-4) |
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 44 reports by companies from 4 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) | 36/37/38-34 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36/39-45-36/37/39 |
| Gefahrenklasse | IRRITANT, IRRITANT-HARMFUL |
Anwendungen & Verwendung
Verwenden
3-Bromo-4-chlorobenzotrifluoride serves as a starting material for synthesizing 2,2,6-tris(trifluoromethyl)-2H-chromene via palladium-catalyzed coupling with trimethylsilylacetylene followed by further reactions[1].