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Hexanoylchlorid
CAUSTIC · QUICKLIME · CALX · IP90 · BURNT LIME · FLUXING LIME · LIME, CAUSTIC · Caproic chloride
Identifikatoren & physikalische Daten
| CAS No. | 142-61-0 |
|---|---|
| Summenformel | C6H11ClO |
| Durchschnittliche Molmasse | 134,6 g/mol |
| Monoisotopische Masse | 134,04984265 g/mol |
| SMILES | CCCCCC(=O)Cl |
| InChIKey | YWGHUJQYGPDNKT-UHFFFAOYSA-N |
| PubChem CID | 67340 |
| EC No. | 205-549-1 |
| DTXSID | DTXSID8059718 |
| Lokaler Name | Hexanoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 70,9 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Chemical shift |
| Dichte | 0.9784 @ 20°C0.963 g/mL at 25 °C (lit.) |
| Siedepunkt | 123 °C @760 [mm Hg]150-153 °C (lit.) |
| Physical Description | Liquid[Merck Index] |
| Schmelzpunkt | -87°C |
| Brechungsindex | n20/D 1.426(lit.) |
| Flammpunkt | 122 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Soluble in ether, chloroform.MAY DECOMPOSE |
| Aggregatzustand | powder |
| Farbe | Clear colorless to pale yellow |
| Biologische Quelle | rabbit |
| Merck | 14,1763 |
| BRN | 506332 |
| InChI | 1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3 |
| InChIKey | YWGHUJQYGPDNKT-UHFFFAOYSA-N |
| SMILES | CCCCCC(Cl)=O |
| CAS Datenbank | 142-61-0(CAS DataBase Reference) |
| NIST chemische Informationen | Hexanoyl chloride(142-61-0) |
| EPA chemische Informationen | Hexanoyl chloride (142-61-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (94.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 167 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Hexanoyl chlorideStatus: Active Update: 25-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26179Hexanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Hexanoyl chloride: Human health tier I assessment |
| Gefahrenübersicht | Decomposed by water[Merck Index] Reacts violently with waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (94.6%) |
| Protective Action Criteria (PAC) | 1.4 [mg/m3]15 [mg/m3]91 [mg/m3] |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 10-21-34 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29159080 |
| RTECS-Nr. | EW3100000 |
| R-Sätze (R) | 34-22-14-10-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-28B |
| Gefahrenklasse | 8Eye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Hexanoyl chloride has been used in the synthesis of (±)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one, 14-methyl-1-octadecene. It is used as crystal liquid, pharmaceutical and organic synthesis material.