HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromdodecansure
2-BROMOLAURIC ACID · 2-bromododecanoate · 2-bromo-dodecanoicaci · 2-Bromolauric acid,98% · 2-Bromododecanoic acid · Dodecanoic acid, 2-bromo- · 2-Bromododecanoic acid >=98.0% · 2-Bromolauric acid2-Bromododecanoic acid
Identifikatoren & physikalische Daten
| CAS No. | 111-56-8 |
|---|---|
| Summenformel | C12H23BrO2 |
| Durchschnittliche Molmasse | 279,21 g/mol |
| Monoisotopische Masse | 278,08814208 g/mol |
| SMILES | CCCCCCCCCCC(Br)C(=O)O |
| InChIKey | HXKXBCBZXXQPPD-UHFFFAOYSA-N |
| PubChem CID | 66980 |
| EC No. | 203-882-7 |
| DTXSID | DTXSID60870463 |
| Lokaler Name | 2-Bromdodecansure |
Chemische & physikalische Eigenschaften
| XLogP | 5,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 160 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109] |
| Schmelzpunkt | 30-32 °C |
| Siedepunkt | 157-159 °C (2 mmHg) |
| Dichte | 1.2688 (rough estimate) |
| Brechungsindex | 1.4820 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | methanol: soluble1g/10 mL, clear, colorless |
| pKa (Säurekonstante) | 2.97±0.21(Predicted) |
| Aggregatzustand | solid |
| BRN | 1774990 |
| InChI | 1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10H2,1H3,(H,14,15) |
| InChIKey | HXKXBCBZXXQPPD-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCC(Br)C(O)=O |
| EPA chemische Informationen | Dodecanoic acid, 2-bromo- (111-56-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Dodecanoic acid, 2-bromo- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Bromododecanoic acid was used in the synthesis of carboxylic amphoteric surfactants containing ether tertiary amino and carboxylic groups. It was also used in the synthesis of C12-lipoamino acid.