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3-Brom-1,1-dimethoxypropan
3-BROMO-1,1-DIMETHOXYPROPANE · 1-BROMO-3,3-DIMETHOXYPROPANE · 1-Bromo-3,3-dimethylpropene · 1,1-Dimethoxy-3-bromopropane · Propane, 3-bromo-1,1-dimethoxy- · 3-Bromopropanal dimethyl acetal · 4-broMo-2-(1-Methoxyethoxy)butanal · 1-Bromo-3,3-di Methoxy group propane
Identifikatoren & physikalische Daten
| CAS No. | 36255-44-4 |
|---|---|
| Summenformel | C5H11BrO2 |
| Durchschnittliche Molmasse | 183,04 g/mol |
| Monoisotopische Masse | 181,99424169 g/mol |
| SMILES | COC(CCBr)OC |
| InChIKey | ODZZAIFAQLODKN-UHFFFAOYSA-N |
| PubChem CID | 118932 |
| EC No. | 252-936-6 |
| DTXSID | DTXSID50189793 |
| Lokaler Name | 3-Brom-1,1-dimethoxypropan |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 45,7 |
| Stoffklassen | Other Classes -> Acetals |
| Physical Description | Brown liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 58-60 °C17 mm Hg(lit.) |
| Dichte | 1.341 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.449(lit.) |
| Flammpunkt | 114 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| Löslichkeit | Not miscible or difficult to mix with water. |
| BRN | 1697640 |
| InChI | InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3 |
| InChIKey | ODZZAIFAQLODKN-UHFFFAOYSA-N |
| SMILES | C(OC)(OC)CCBr |
| CAS Datenbank | 36255-44-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29110000 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Bromopropionaldehyde dimethyl acetal was used in the synthesis of spiro cyclobutanones.