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Methyl-2,3-dibrompropionat
METHYL 2,3-DIBROMOPROPANOATE · Nsc9372 · >=99.5% (GC) · methyl-2,3-dibromo · 2,3-Dibromopropionate · Methyl dibromopropionate · 2-Methyl broMohexanoic acid · METHYL 2,3-DIBROMOPROPIONATE
Identifikatoren & physikalische Daten
| CAS No. | 1729-67-5 |
|---|---|
| Summenformel | C4H6Br2O2 |
| Durchschnittliche Molmasse | 245,9 g/mol |
| Monoisotopische Masse | 243,87345363 g/mol |
| SMILES | COC(=O)C(Br)CBr |
| InChIKey | ROXQOUUAPQUMLN-UHFFFAOYSA-N |
| PubChem CID | 95428 |
| ChEMBL | CHEMBL3183093 |
| EC No. | 217-044-3 |
| DTXSID | DTXSID2042145 |
| Lokaler Name | Methyl-2,3-dibrompropionat |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 84,1 |
| Stoffklassen | Other Classes -> Halogenated Esters |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 83-86 °C/10 mmHg (lit.) |
| Dichte | 1.944 g/mL at 20 °C (lit.) |
| Dampfdruck | 1.3hPa at 20℃ |
| Brechungsindex | n20/D 1.514 |
| Flammpunkt | -33 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | 2.6g/L at 20℃ |
| BRN | 1750190 |
| InChI | InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3 |
| InChIKey | ROXQOUUAPQUMLN-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(Br)CBr |
| LogP (Verteilungskoeffizient) | 2 |
| CAS Datenbank | 1729-67-5(CAS DataBase Reference) |
| NIST chemische Informationen | Methyl 2,3-dibromopropionate(1729-67-5) |
| EPA chemische Informationen | Methyl 2,3-dibromopropionate (1729-67-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18675 |
| Gefahrenübersicht | An irritant[Sigma-Aldrich MSDS] See Methyl 2-bromopropionate. |
| Hazard Classes and Categories | Skin Irrit. 2 (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2398 3/PG 2 |
| Zollcode | 2916199590 |
| R-Sätze (R) | 36/37-40-36/37/38-38-11 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 26-36-16-24-9 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Methyl 2,3-dibromopropionate may be used in the preparation of methyl 2-azidoacrylate. It may be used in the preparation of methyl (+)-(1′R, 2R) and (-)-(1′R, 2S)-1-(2-phenylethanol)aziridine-2-carboxylates.