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Ethyl-2-brom-2-methylpropionat
Ethyl 2-bromo-2-methylpropanoate · Ethyl α-bromoisobutyrate · 2-BROMO-2-METHYLPROPIONIC ACID ETHYL ESTER · α-bromoisobutyrate · ETHYL 2-BROMO-2-METHYLPROPIONATE · ETHYL A-BROMOISOBUTYRATE · Ethyl α-broMo- · Ethyl-2-bromo-2-
Identifikatoren & physikalische Daten
| CAS No. | 600-00-0 |
|---|---|
| Summenformel | C6H11BrO2 |
| Durchschnittliche Molmasse | 195,05 g/mol |
| Monoisotopische Masse | 193,99424169 g/mol |
| SMILES | CCOC(=O)C(C)(C)Br |
| InChIKey | IOLQWGVDEFWYNP-UHFFFAOYSA-N |
| PubChem CID | 11745 |
| EC No. | 209-980-6 |
| DTXSID | DTXSID4060523 |
| Lokaler Name | Ethyl-2-brom-2-methylpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 110 |
| Stoffklassen | Other Classes -> Halogenated Esters |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 2.61 [mmHg] |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 65-67 °C11 mm Hg(lit.) |
| Dichte | 1.329 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.444(lit.) |
| Flammpunkt | 140 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Löslichkeit | Soluble in alcohol, ether. Insoluble in water. |
| BRN | 1098947 |
| Dielektrizitätskonstante | 7.9(20℃) |
| Stabilität | Stable. Incompatible with acids, bases, reducing agents, oxidizing agents. |
| InChI | InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3 |
| InChIKey | IOLQWGVDEFWYNP-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(Br)(C)C |
| CAS Datenbank | 600-00-0(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, 2-bromo-2-methyl-, ethyl ester(600-00-0) |
| EPA chemische Informationen | Ethyl 2-bromoisobutyrate (600-00-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 81 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: 04-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13603Ethyl 2-bromo-2-methylpropionate: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A mild skin and severe eye irritant (may cause eye injury)May cause skin sensitizationPossible mutagen by oral exposure[ECHA REACH Registrations] An irritant that may cause serious eye injuryA lachrymatorHarmful by ingestion[Sigma-Aldrich MSDS] See Ethyl 2-bromopropionate. |
| Hazard Classes and Categories | Flam. Liq. 3 (97.5%) |
| Unerwünschte Wirkungen | Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1992 3/PG 3 |
| Zollcode | 29159080 |
| R-Sätze (R) | 22-41-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39-37/39 |
| Gefahrenklasse |
Anwendungen & Verwendung
Verwenden
Ethyl 2-bromoisobutyrate is used as an Atom Transfer Radical Polymerization (ATRP) initiator that will generate a polymer with an ethyl end group.