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2-(2-Bromethyl)-1,3-dioxolan
Bromoethyldioxolane · 2KG · )-1,3-dioxoL · 2-(2-BromoethyL · 2-(2-Bromoethyl)-1,3 · 2-bromo-2-(2-ethyl)dioxolane · 2-(2-Bromoethyl)-1,3-dioxola · 2-(2-BROMOETHYL)-1,3-DIOXOLANE
Identifikatoren & physikalische Daten
| CAS No. | 18742-02-4 |
|---|---|
| Summenformel | C5H9BrO2 |
| Durchschnittliche Molmasse | 181,03 g/mol |
| Monoisotopische Masse | 179,97859163 g/mol |
| SMILES | BrCCC1OCCO1 |
| InChIKey | GGZQLTVZPOGLCC-UHFFFAOYSA-N |
| PubChem CID | 87776 |
| EC No. | 242-551-1 |
| DTXSID | DTXSID40172058 |
| Lokaler Name | 2-(2-Bromethyl)-1,3-dioxolan |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 61,4 |
| Siedepunkt | 68-70 °C8 mm Hg(lit.) |
| Dichte | 1.542 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.479(lit.) |
| Flammpunkt | 149 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly)immiscible |
| Aggregatzustand | clear liquid |
| Wichte | 1.541.542 |
| Farbe | brownish-yellow |
| BRN | 103516 |
| InChI | 1S/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2 |
| InChIKey | GGZQLTVZPOGLCC-UHFFFAOYSA-N |
| SMILES | BrCCC1OCCO1 |
| CAS Datenbank | 18742-02-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-(2-Bromoethyl)-1,3-dioxolane(18742-02-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (76.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/165211,3-Dioxolane, 2-(2-bromoethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (76.4%) |
| F | 8-9 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29329990 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-(2-Bromoethyl)-1,3-dioxolane is used as a pharmaceutical intermediate, dioxolanes, acetals, ketals, building blocks, chemical synthesis, organic building blocks and oxygen compounds. 1,1-(Ethylenedioxy)-3-bromopropane is used in the synthesis of EGFR inhibitors. Also used in the synthesis of orally active agents of cancer and cell proliferation with quinoline substructures. It is also used as flavouring agent.