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2-Brommesitylen
2-BROMO-1,3,5-TRIMETHYLBENZENE · 2-BROMOMESITYLENE · MESITYL BROMIDE · BROMOMESITYLENE · 2,4,6-Trimethylphenyl bromide · 1-bromo-2,4,6-trimethylbenzene · 1-Bromomesitylene · 2,4,6-TRIMETHYLBROMOBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 576-83-0 |
|---|---|
| Summenformel | C9.H11.Br |
| Durchschnittliche Molmasse | 199,09 g/mol |
| Monoisotopische Masse | 198,00441245 g/mol |
| SMILES | Cc1cc(C)c(Br)c(C)c1 |
| InChIKey | RRTLQRYOJOSPEA-UHFFFAOYSA-N |
| PubChem CID | 68473 |
| EC No. | 209-405-9 |
| DTXSID | DTXSID4060363 |
| Lokaler Name | 2-Brommesitylen |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 99,3 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Dichte | 1.301 @25 °C1.301 g/mL at 25 °C(lit.) |
| Siedepunkt | 225 °C @760 [mm Hg]225 °C(lit.) |
| Schmelzpunkt | -1 °C2 °C(lit.) |
| Brechungsindex | n20/D 1.552(lit.) |
| Flammpunkt | 205 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to very slightly yellow |
| Löslichkeit | Insoluble in water(20°C) . |
| BRN | 1907245 |
| InChI | InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3 |
| InChIKey | RRTLQRYOJOSPEA-UHFFFAOYSA-N |
| SMILES | C1(C)=CC(C)=CC(C)=C1Br |
| CAS Datenbank | 576-83-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 2-bromo-1,3,5-trimethyl-(576-83-0) |
| EPA chemische Informationen | 2-Bromomesitylene (576-83-0) |
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. |
|---|---|
| Regulatorische Informationen | 2-Bromomesitylene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (97.9%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-36/37/39-23 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Bromomesitylene is a useful synthetic intermediate, Aromatics, Boron Derivatives, Catalyst. It is an intermediate used to prepare Hydrogen[4-[bis(2,4,6-trimethylphenyl)phosphino]-2,3,5,6-tetrafluorophenyl]hydrobis(2,3,4,5,6-pentafluorophenyl)borate (H714510) which is a frustrated phosphonium borate for metal-free catalytic hydrogenation of imines.