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1-Chlorhexadecan
CETYL CHLORIDE · N-HEXADECYL CHLORIDE · HEXADECYL CHLORIDE · orohexadecane · Barchlor(R) 16S · 1-Chlorhexadecan · Chlorohexadecane · Palmityl chloride
Identifikatoren & physikalische Daten
| CAS No. | 4860-03-1 |
|---|---|
| Summenformel | C16H33Cl |
| Durchschnittliche Molmasse | 260,9 g/mol |
| Monoisotopische Masse | 260,22707874 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCl |
| InChIKey | CLWAXFZCVYJLLM-UHFFFAOYSA-N |
| PubChem CID | 20993 |
| ChEMBL | CHEMBL3184566 |
| EC No. | 225-461-7 |
| DTXSID | DTXSID3027580 |
| Lokaler Name | 1-Chlorhexadecan |
Chemische & physikalische Eigenschaften
| XLogP | 9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 123 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 8-14 °C(lit.) |
| Siedepunkt | 149 °C1 mm Hg(lit.) |
| Dichte | 0.865 g/mL at 25 °C(lit.) |
| Dampfdruck | 129 mm Hg ( 21 °C) |
| Brechungsindex | n20/D 1.449(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | <0.02g/l0.02 g/L (20 ºC, Dec.) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1748498 |
| InChI | 1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3 |
| InChIKey | CLWAXFZCVYJLLM-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCl |
| CAS Datenbank | 4860-03-1(CAS DataBase Reference) |
| NIST chemische Informationen | Hexadecane, 1-chloro-(4860-03-1) |
| EPA chemische Informationen | Hexadecane, 1-chloro- (4860-03-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.WarningH315 (97.4%): 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: Hexadecane, 1-chloro-Hexadecane, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (97.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29031980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Chlorohexadecane is used as chemical intermediate.