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Methyl-2-brom-2-methylpropionat
methyl 2-bromo-2-methylpropanoate · METHYL 2-BROMOISOBUTYRATE · 2-BROMO-2-METHYLPROPIONIC ACID METHYL ESTER · Methyl α-broMo- · methyl a-bromobutyrate · METHYL A-BROMOISOBUTYRATE · Methyl α-bromoisobutyrate · Methyl 2-bromoisobutylate
Identifikatoren & physikalische Daten
| CAS No. | 23426-63-3 |
|---|---|
| Summenformel | C5H9BrO2 |
| Durchschnittliche Molmasse | 181,03 g/mol |
| Monoisotopische Masse | 179,97859163 g/mol |
| SMILES | COC(=O)C(C)(C)Br |
| InChIKey | PQUSVJVVRXWKDG-UHFFFAOYSA-N |
| PubChem CID | 90097 |
| EC No. | 245-657-6 |
| DTXSID | DTXSID40177982 |
| Lokaler Name | Methyl-2-brom-2-methylpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 98,6 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 52 °C(Press: 19 Torr) |
| Dichte | 1.399 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.451 |
| Flammpunkt | 49 °C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 1209484 |
| InChI | InChI=1S/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3 |
| InChIKey | PQUSVJVVRXWKDG-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(Br)(C)C |
| CAS Datenbank | 23426-63-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.WarningH226 (95.6%): 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 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (95.6%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2929 6.1/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Atom Transfer Radical Polymerization (ATRP) initiator that will generate a polymer with a methyl end group