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2,2-Difluor-1,3-benzodioxol
2,2-difluorobenzo[d][1,3]dioxole · 2,2-Difluoro-2H-1,3-benzodioxole · 2,2-Difluoro-1,3-ben · uoro-1,3-benzodioxoL · 2,2-Difluorochalcone · LABOTEST-BB LT01148491 · 2,2-DIFLUOROBENZODIOXOLE · 2,2-Difluoro-1,3-benzodixole
Identifikatoren & physikalische Daten
| CAS No. | 1583-59-1 |
|---|---|
| Summenformel | C7H4F2O2 |
| Durchschnittliche Molmasse | 158,1 g/mol |
| Monoisotopische Masse | 158,01793581 g/mol |
| SMILES | FC1(F)Oc2ccccc2O1 |
| InChIKey | DGCOGZQDAXUUBY-UHFFFAOYSA-N |
| PubChem CID | 74103 |
| EC No. | 216-431-4 |
| DTXSID | DTXSID60166398 |
| Lokaler Name | 2,2-Difluor-1,3-benzodioxol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 145 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| Siedepunkt | 129-130°C |
| Dichte | 1,308 g/cm3 |
| Brechungsindex | 1.443 |
| Flammpunkt | 129-130°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Methanol |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| BRN | 1307648 |
| InChI | InChI=1S/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H |
| InChIKey | DGCOGZQDAXUUBY-UHFFFAOYSA-N |
| SMILES | O1C2=CC=CC=C2OC1(F)F |
| LogP (Verteilungskoeffizient) | 2.96 |
| CAS Datenbank | 1583-59-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (67.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 116 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 07-03-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/11884 |
| Hazard Classes and Categories | Flam. Liq. 3 (67.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN1993 |
| Zollcode | 2932990090 |
| R-Sätze (R) | 36/37/38-43 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-36/37 |
| Gefahrenklasse | 3Flam. Liq. 3Skin Irrit. 2Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,2-Difluoro-1,3-benzodioxole is used in the synthesis of Kv3 inhibitors as well as in the preparation of renin inhibitors.