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5-Bromo-2,2-difluoro-1,3-benzodioxole
5-bromo-2,2-difluorobenzo[d][1,3]dioxole · 5-BROMO-2,2-DIFLUORO-1,3-BENZODIOXOLE · 3,4-[(Difluo · 5-Bromo-2,2-difL · 5-BroMo-2,2-difluoro-benz... · 5-BROMO-2,2-DIFLUOROBENZODIOXOLE · 5-BROMO-2,2-DIFLUORO-BENZO[1,3]DIOXOLE · 1,3-Benzodioxole, 5-bromo-2,2-difluoro-
Identifikatoren & physikalische Daten
| CAS No. | 33070-32-5 |
|---|---|
| Summenformel | C7H3BrF2O2 |
| Durchschnittliche Molmasse | 237 g/mol |
| Monoisotopische Masse | 235,92844788 g/mol |
| SMILES | FC1(F)Oc2ccc(Br)cc2O1 |
| InChIKey | SZRHWHHXVXSGMT-UHFFFAOYSA-N |
| PubChem CID | 2736271 |
| EC No. | 642-776-9 |
| DTXSID | DTXSID20371244 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 188 |
| Siedepunkt | 78-79°C 20mm |
| Dichte | 1,74 g/cm3 |
| Brechungsindex | 1.4967 |
| Flammpunkt | >75°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Miscible with hexane. |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1425209 |
| InChI | InChI=1S/C7H3BrF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H |
| InChIKey | SZRHWHHXVXSGMT-UHFFFAOYSA-N |
| SMILES | O1C2=CC=C(Br)C=C2OC1(F)F |
| CAS Datenbank | 33070-32-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (12.5%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2934999090 |
| R-Sätze (R) | 36-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTAquatic Chronic 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Bromo-2,2-difluoro-1,3- benzodioxole is used as a precursor in organic synthesis. It is used to prepare 5-bromo-2,2-difluoro-1,3-benzodioxole-4-carboxylic acid. It serves as an intermediate in active pharmaceutical ingredients, agrochemicals and in dyestuff field.