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11-Bromundecansure
11-bromo-undecanoicaci · 11-Bromdecansure · 2834/5/1 0:00:00 · Bromoundecanoicacid · 11-bromodecanoic acid · 11-BROMOUNDECANOIC ACID · 1-Bromoundecanoic Acid · 11-BROMOHENDECANOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 2834-05-1 |
|---|---|
| Summenformel | C11H21BrO2 |
| Durchschnittliche Molmasse | 265,19 g/mol |
| Monoisotopische Masse | 264,07249201 g/mol |
| SMILES | O=C(O)CCCCCCCCCCBr |
| InChIKey | IUDGNRWYNOEIKF-UHFFFAOYSA-N |
| PubChem CID | 17812 |
| ChEBI | CHEBI:176862 |
| EC No. | 220-602-9 |
| DTXSID | DTXSID8062658 |
| Lokaler Name | 11-Bromundecansure |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 137 |
| Stoffklassen | Other Classes -> Organic Acids |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109] |
| SpringerMaterials Properties | Crystal structure |
| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 45-48 °C (lit.) |
| Siedepunkt | 173-174 °C/2 mmHg (lit.) |
| Dichte | 1.2889 (rough estimate) |
| Brechungsindex | 1.5120 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Chunks |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Farbe | White to beige |
| Löslichkeit | insoluble |
| BRN | 1767205 |
| Stabilität | Stable. Incompatible with bases, oxidizing agents, reducing agents. |
| InChI | 1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14) |
| InChIKey | IUDGNRWYNOEIKF-UHFFFAOYSA-N |
| SMILES | OC(=O)CCCCCCCCCCBr |
| CAS Datenbank | 2834-05-1(CAS DataBase Reference) |
| NIST chemische Informationen | 11-Bromoundecanoic acid(2834-05-1) |
| EPA chemische Informationen | 11-Bromoundecanoic acid (2834-05-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (42.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Undecanoic acid, 11-bromo-Status: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20542Undecanoic acid, 11-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (42.9%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
11-Bromoundecanoic acid was used in the synthesis of 11-phenoxyundecyl phosphate and 11-hydroxytetradecanoic acid.