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6-Chlorhexan-1-ol
6-chlorohexan-1-ol · 6-CHLORO-1-HEXANOL · Chlorohexanol · 6-Chlor-1-Hexanol · 6-Chlorohexyl alcohol · 1-CHLORO-6-HYDROXYHEXANE · DICF · C6H13CLO
Identifikatoren & physikalische Daten
| CAS No. | 2009-83-8 |
|---|---|
| Summenformel | C6H13ClO |
| Durchschnittliche Molmasse | 136,62 g/mol |
| Monoisotopische Masse | 136,0654927 g/mol |
| SMILES | OCCCCCCCl |
| InChIKey | JNTPTNNCGDAGEJ-UHFFFAOYSA-N |
| PubChem CID | 74828 |
| ChEMBL | CHEMBL2260959 |
| EC No. | 217-925-2 |
| DTXSID | DTXSID4049240 |
| Lokaler Name | 6-Chlorhexan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 39 |
| Schmelzpunkt | 102 °C |
| Siedepunkt | 108-112 °C14 mm Hg(lit.) |
| Dichte | 1.024 g/mL at 25 °C(lit.) |
| Dampfdruck | 1.066hPa at 21.1℃ |
| Brechungsindex | n20/D 1.456(lit.) |
| Flammpunkt | 210 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in dimethylformamide.11.3g/L at 20℃ |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.17±0.10(Predicted) |
| Farbe | Clear colorless to pale yellow |
| Wichte | 1.024 |
| BRN | 1697307 |
| InChI | 1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2 |
| InChIKey | JNTPTNNCGDAGEJ-UHFFFAOYSA-N |
| SMILES | OCCCCCCCl |
| LogP (Verteilungskoeffizient) | 1.86 at 30℃ |
| CAS Datenbank | 2009-83-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Hexanol, 6-chloro-(2009-83-8) |
| EPA chemische Informationen | 1-Hexanol, 6-chloro- (2009-83-8) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29055900 |
| RTECS-Nr. | MO9160000 |
| R-Sätze (R) | 20/21-36/38-36/37/38-20/21/22 |
| Toxizität | mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956. |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
6-Chloro-1-hexanol is used in the preparation of its corresponding bromide by reaction with sodium bromide using N,N-dimethylformamide and dibromomethane (2:1) as a solvent. It is utilized in the selective elimination of 6-chloro-1-hexene from esters of 6-chloro-1-hexanol.
Herstellung & Synthese
synthetische
6-Chlorohexanol can be prepared by the reaction of 1,6-hexanediol with hydrochloric acid without the use of a catalyst or cuprous chloride. It can also be synthesised by reacting 2,6-dichlorophenol with hydrochloric acid and sodium hydroxide in the presence of azobenzene.