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2-Brom-1,1-dimethoxyethan
2-BROMO-1,1-DIMETHOXYETHANE · BADA · Dimethylbromoacetal · BADMA · 2,2-Dimethoxybromoethane · 2-Brom-1,1-dimethoxyethan · 2,2-DIMETHOXYETHYL BROMIDE · 2-BROMO-1,1-DIMETHYLETHANE
Identifikatoren & physikalische Daten
| CAS No. | 7252-83-7 |
|---|---|
| Summenformel | C4H9BrO2 |
| Durchschnittliche Molmasse | 169,02 g/mol |
| Monoisotopische Masse | 167,97859 g/mol |
| SMILES | COC(CBr)OC |
| InChIKey | FUSFWUFSEJXMRQ-UHFFFAOYSA-N |
| PubChem CID | 81672 |
| EC No. | 230-669-6 |
| DTXSID | DTXSID2064608 |
| Lokaler Name | 2-Brom-1,1-dimethoxyethan |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 36 |
| Siedepunkt | 148-150 °C (lit.) |
| Dichte | 1.43 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.445(lit.) |
| Flammpunkt | 129 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Wichte | 1.445 |
| Löslichkeit | insoluble |
| BRN | 1280132 |
| InChI | InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3 |
| InChIKey | FUSFWUFSEJXMRQ-UHFFFAOYSA-N |
| SMILES | C(OC)(OC)CBr |
| CAS Datenbank | 7252-83-7(CAS DataBase Reference) |
| NIST chemische Informationen | Ethane, 2-bromo-1,1-dimethoxy-(7252-83-7) |
| EPA chemische Informationen | Ethane, 2-bromo-1,1-dimethoxy- (7252-83-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (47.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (44.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Ethane, 2-bromo-1,1-dimethoxy- |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Irrit. 2 (47.4%)Eye Irrit. 2 (97.4%)STOT SE 3 (44.9%) |
| F | 8-9-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1989 3/PG 3 |
| Zollcode | 29110000 |
| R-Sätze (R) | 10-36-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/39-28A-16 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
2-Bromo-1,1-dimethoxyethane (Bromoacetaldehyde dimethyl acetal) was used in the synthesis of 2,3-O-acetal via reaction with 2,3-diol in the presence of 10-camphorsulphonic acid (CSA). 2-bromo-1,1-dimethoxyethane was used to react with 4-hydroxylbenzaldehyde, and finally aldehyde substituted prodrug was generated by TFA-mediated deacetalization.