HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
16-Bromohexadecanoic acid
16-Bromopalmitic acid · 16-Brom-hexadecaneSre · 6-Bromohexadecanoic acid · 16-Brom-hexadecanoicacid · 16-BROMOHEXADECANOIC ACID · 16-bromodecahexalkaneacid · Hexadecanoic acid, 16-bromo- · 16-Bromohexadecanoic acid 95%
Identifikatoren & physikalische Daten
| CAS No. | 2536-35-8 |
|---|---|
| Summenformel | C16H31BrO2 |
| Durchschnittliche Molmasse | 335,32 g/mol |
| Monoisotopische Masse | 334,15074233 g/mol |
| SMILES | O=C(O)CCCCCCCCCCCCCCCBr |
| InChIKey | PFNCOYVEMJYEED-UHFFFAOYSA-N |
| PubChem CID | 620397 |
| ChEBI | CHEBI:230564 |
| EC No. | 627-997-0 |
| DTXSID | DTXSID40347345 |
Chemische & physikalische Eigenschaften
| XLogP | 6,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 195 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109] |
| Schmelzpunkt | 68-71 °C (lit.) 70-73 °C (lit.) |
| Siedepunkt | 214-217 °C/1 mmHg (lit.) |
| Dichte | 1.116±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Farbe | White |
| InChI | InChI=1S/C16H31BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19) |
| InChIKey | PFNCOYVEMJYEED-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCCCCCCCCCBr |
| CAS Datenbank | 2536-35-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2915907098 |
| R-Sätze (R) | 38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
16-Bromohexadecanoic acid can be used:As a starting material in the synthesis of ceramides with ultralong chains.In the synthesis of 6-(nitrooxy)hexadecanoic acid intermediate, which on reacting with (L)-carnitine ethyl ester iodide gave carnitine nitro-derivatives.