HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dimethylbrommalonat
Dimethyl 2-bromomalonate · Dimethyl bromomalonate · DimethylBromomalonate>Dimethyl bromomalonate ,96% · Dimethyl bromomalonate ,98% · dimethyl 2-bromopropanedioate · DiMethyl broMoMalonate, GC 90% · Bromomalonic acid dimethyl ester · DiMethyl BroMoMalonate, 95.0%(GC)
Identifikatoren & physikalische Daten
| CAS No. | 868-26-8 |
|---|---|
| Summenformel | C5H7BrO4 |
| Durchschnittliche Molmasse | 211,01 g/mol |
| Monoisotopische Masse | 209,9527708 g/mol |
| SMILES | COC(=O)C(Br)C(=O)OC |
| InChIKey | NEMOJKROKMMQBQ-UHFFFAOYSA-N |
| PubChem CID | 70087 |
| EC No. | 212-775-4 |
| DTXSID | DTXSID60235811 |
| Lokaler Name | Dimethylbrommalonat |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 129 |
| Siedepunkt | 105-108 °C/11 mmHg (lit.) |
| Dichte | 1.601 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.460(lit.) |
| Flammpunkt | >230 °F |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.25±0.46(Predicted) |
| Farbe | Clear colorless to light yellow |
| BRN | 971135 |
| InChI | 1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3 |
| InChIKey | NEMOJKROKMMQBQ-UHFFFAOYSA-N |
| SMILES | COC(=O)C(Br)C(=O)OC |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29171900 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Dimethyl bromomalonate may be used in the enantioselective synthesis of nitrocyclopropanes.