HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-3-brompropionat
Methyl 3-bromopropanoate · 3-bromopropionate · 3-BROMOPROPIONIC ACID METHYL ESTER · NSC 3705 · Methyl 3-bromopropio · Bromo-3-methylaniline · Methyl Bromopropionate · Methyl 3-Bromopropiote
Identifikatoren & physikalische Daten
| CAS No. | 3395-91-3 |
|---|---|
| Summenformel | C4H7BrO2 |
| Durchschnittliche Molmasse | 167 g/mol |
| Monoisotopische Masse | 165,96294156 g/mol |
| SMILES | COC(=O)CCBr |
| InChIKey | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
| PubChem CID | 76934 |
| EC No. | 222-247-5 |
| DTXSID | DTXSID6063010 |
| Lokaler Name | Methyl-3-brompropionat |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 62,7 |
| SpringerMaterials Properties | Dielectric constant |
| Schmelzpunkt | 75°C |
| Siedepunkt | 64-66 °C/18 mmHg (lit.) |
| Dichte | 1.53 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.458(lit.) |
| Flammpunkt | 167 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Immiscible |
| BRN | 1742949 |
| InChI | 1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3 |
| InChIKey | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
| SMILES | COC(=O)CCBr |
| CAS Datenbank | 3395-91-3(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, 3-bromo-, methyl ester(3395-91-3) |
| EPA chemische Informationen | Propanoic acid, 3-bromo-, methyl ester (3395-91-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Methyl 3-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159080 |
| RTECS-Nr. | UA2451790 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Methyl 3-bromopropionate was used in the synthesis of spiroanellated γ-lactones, pinacols and unprecedented 3-(1-hydroxycycloalkyl)-l-oxaspiro[n,m]alkan-2-ones.