HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 11-bromoundecanoate
NSC 12015 · Br-C10-methyl ester · METHYL 11-BROMOUNDECYLATE · Methyl 11-bromoundecanoate · Methyl11-Bromoundecanoate>methyl 11-bromoundecan-1-oate · Methyl 11-bromoundecanoate 95% · 11-Bromoundecanoic acid methyl ester · Undecanoic acid, 11-bromo-, methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 6287-90-7 |
|---|---|
| Summenformel | C12H23BrO2 |
| Durchschnittliche Molmasse | 279,21 g/mol |
| Monoisotopische Masse | 278,08814 g/mol |
| SMILES | COC(=O)CCCCCCCCCCBr |
| InChIKey | HFNPVFKUZYCDIB-UHFFFAOYSA-N |
| PubChem CID | 223913 |
| DTXSID | DTXSID50279264 |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 149 |
| Schmelzpunkt | 17℃ |
| Siedepunkt | 115 °C0.04 mm Hg(lit.) |
| Dichte | 1.157 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.465(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless to Light Yellow |
| InChI | InChI=1S/C12H23BrO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3 |
| InChIKey | HFNPVFKUZYCDIB-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)CCCCCCCCCCBr |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 2915.90.5050 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methyl 11-bromoundecanoate can be used as a reactant to synthesize: Methyl 11-(2,5-dibromophenoxy)undecanoate, which is employed as a precursor to prepare acetylenic cyclophanes. Methyl 11-[(1-phenyl-1H-tetrazol-5-yl)thio]undecanoate, a key intermediate applicable in the synthesis of emmyguyacins side chain.Betain derivatives of 11-bromoundecanoic acid, as potential microbial agents.