HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 82145Erstellt: 27. Oktober 2026
2-Brompalmitinsure
2-bromopalmitate · 2-BROMOPALMITIC ACID · Hexadecanoic acid, 2-bromo- · A-BROMOPALMITIC ACID · ALPHA-BROMOPALMITATE · α-Bromopalmitic acid · Bromohexadecanoicacid · 2-bromo-hexadecanoicaci
https://huagongshe.com/de/chemical/82145
Identifikatoren & physikalische Daten
| CAS No. | 18263-25-7 |
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| Summenformel | C16H31BrO2 |
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| Durchschnittliche Molmasse | 335,32 g/mol |
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| Monoisotopische Masse | 334,15074233 g/mol |
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| SMILES | CCCCCCCCCCCCCCC(Br)C(=O)O |
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| InChIKey | DPRAYRYQQAXQPE-UHFFFAOYSA-N |
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| PubChem CID | 82145 |
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| ChEMBL | CHEMBL118417 |
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| ChEBI | CHEBI:133152 |
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| EC No. | 242-137-0 |
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| DTXSID | DTXSID0037734 |
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| Lokaler Name | 2-Brompalmitinsure |
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Chemische & physikalische Eigenschaften
| XLogP | 7,8 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 14 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 207 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109] |
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| Schmelzpunkt | 52-54 °C |
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| Siedepunkt | 403.4±18.0 °C(Predicted) |
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| Dichte | 1.1985 (rough estimate) |
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| Brechungsindex | 1.4650 (estimate) |
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| Flammpunkt | 113 °C |
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| Lagerbedingungen | RT |
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| Löslichkeit | methanol: soluble1g/10 mL, clear, colorless |
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| pKa (Säurekonstante) | 2.97±0.21(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | White |
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| BRN | 1726517 |
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| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months. |
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| InChI | InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19) |
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| InChIKey | DPRAYRYQQAXQPE-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C(Br)CCCCCCCCCCCCCC |
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| CAS Datenbank | 18263-25-7(CAS DataBase Reference) |
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| EPA chemische Informationen | Hexadecanoic acid, 2-bromo- (18263-25-7) |
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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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27999 |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2915907098 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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