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7-Bromobicyclo[4.2.0]octa-1,3,5-triene
1-BrBCB · 1-BROMOBENZOCYCLOBUTENE · 1-Bromobenzocyclobutene 95% · 1-bromo-1,2-dihydrobenzocyclobutene · 7-bromobicyclo[4.2.0]octa-1(6),2,4-triene · Bicyclo[4.2.0]octa-1,3,5-triene, 7-bromo- · 7-BroMobicyclo[4.2.0]octa-1,3,5,7-tetraene · 1-Bromobenzocyclobutene ISO 9001：2015 REACH
![Molekülstruktur von 7-Bromobicyclo[4.2.0]octa-1,3,5-triene](/img/chemical/568591.png)
Identifikatoren & physikalische Daten
| CAS No. | 21120-91-2 |
|---|---|
| Summenformel | C8H7Br |
| Durchschnittliche Molmasse | 183,04 g/mol |
| Monoisotopische Masse | 181,97311232 g/mol |
| SMILES | BrC1Cc2ccccc21 |
| InChIKey | AYNXHFRDABNHRX-UHFFFAOYSA-N |
| PubChem CID | 568591 |
| EC No. | 980-836-9 |
| DTXSID | DTXSID90340927 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 111 |
| Siedepunkt | 90 °C/10.5 mmHg (lit.) |
| Dichte | 1.45 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.59(lit.) |
| Flammpunkt | 205 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| InChI | InChI=1S/C8H7Br/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2 |
| InChIKey | JQOFZAWKFBCSHK-UHFFFAOYSA-N |
| SMILES | C12C(C(Br)C1)=CC=CC=2 |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2903898090 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Bromobenzocyclobutene may be used in the synthesis of following compounds:five-membered zirconacyclesbenzocyclobutenol and benzocyclobutenone2,3-dimethoxyprotoberberinium bromide, via reaction with 3,4-dihydro-6,7-dimethoxyisoquinoline