HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Brom-4-fluortoluol
2-BROMO-1-FLUORO-4-METHYLBENZENE · 3-Bromo-4-fluorotolu · 3-Bromo-4-fluotoluene · 3-Bromo-4-flurotoluene · 3-BROMO-4-FLUOROTOLUENE · 3-Bromo-4-fluorotoluene,99% · 3-broMo -4-fluorine toluene · 3-Bromo-4-fluorotoluene >3-Bromo-4-fluorotoluene 99%
Identifikatoren & physikalische Daten
| CAS No. | 452-62-0 |
|---|---|
| Summenformel | C7H6BrF |
| Durchschnittliche Molmasse | 189,02 g/mol |
| Monoisotopische Masse | 187,96369051 g/mol |
| SMILES | Cc1ccc(F)c(Br)c1 |
| InChIKey | QLRKALMVPCQTMU-UHFFFAOYSA-N |
| PubChem CID | 96745 |
| EC No. | 207-201-4 |
| DTXSID | DTXSID30196420 |
| Lokaler Name | 3-Brom-4-fluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Siedepunkt | 169 °C/756 mmHg (lit.) |
| Dichte | 1.507 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.531(lit.) |
| Flammpunkt | 164 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.52 |
| Farbe | Clear colorless to light yellow |
| BRN | 1680604 |
| InChI | InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3 |
| InChIKey | QLRKALMVPCQTMU-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=C(C)C=C1Br |
| CAS Datenbank | 452-62-0(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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 2-bromo-1-fluoro-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Bromo-4-fluorotoluene was employed as starting reagent in the synthesis of [4-fluoro-3-(trimethylsilyl)benzyl]guanidine. It was also employed as benzyne precursor in the synthesis of 6-methyl-1,2,3,4-tetrahydro-2,3-(benzylidenedioxy)-1,4-ethenonapthalene.