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5-Chlorpentan-2-on
5-Chloropentan-2-one · oro-2-pentanone · Chloro-2-pentan · 5-chloro -2-ketone · 5-chloro-2-pentanon · Chloropentanonetech · -Chloro-2-pentanone · 5-CHLORO-2-PENTANONE
Identifikatoren & physikalische Daten
| CAS No. | 5891-21-4 |
|---|---|
| Summenformel | C5H9ClO |
| Durchschnittliche Molmasse | 120,58 g/mol |
| Monoisotopische Masse | 120,03419259 g/mol |
| SMILES | CC(=O)CCCCl |
| InChIKey | XVRIEWDDMODMGA-UHFFFAOYSA-N |
| PubChem CID | 79993 |
| EC No. | 227-565-8 |
| DTXSID | DTXSID9064053 |
| Lokaler Name | 5-Chlorpentan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 61,1 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 71-72 °C/20 mmHg (lit.) |
| Dichte | 1.057 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.438(lit.) |
| Flammpunkt | 96 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Soluble in chloroform and methanol. |
| Aggregatzustand | Liquid |
| Wichte | 1.057 |
| Farbe | Brown to black |
| BRN | 1098490 |
| Stabilität | Volatile |
| InChI | InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3 |
| InChIKey | XVRIEWDDMODMGA-UHFFFAOYSA-N |
| SMILES | CC(=O)CCCCl |
| CAS Datenbank | 5891-21-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Pentanone, 5-chloro-(5891-21-4) |
| EPA chemische Informationen | 2-Pentanone, 5-chloro- (5891-21-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 14 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/173855-Chloro-2-pentanone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (92.9%) |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1224 3/PG 3 |
| Zollcode | 29147090 |
| RTECS-Nr. | SA8143500 |
| R-Sätze (R) | 36/37/38-22-10 |
| Gefahrensymbole | Xn,F |
| Sicherheitshinweise (S) | 23-24/25-37/39-26-16 |
| Gefahrenklasse | 3Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
5-Chloro-2-pentanone (5C2P) is an important organic reagent used as a pharmaceutical intermediate for the preparation of therapeutic anti-COVID-19 drugs. 5C2P is also used as a raw material for the synthesis of octamethol and related compounds. In chemical reactions, 5C2P can be cyclised with hydrazine. In conclusion, 5C2P and its derivatives have a wide range of applications in the pharmaceutical and agrochemical industries.
Verwenden
5-Chloro-2-pentanone used in the preparation of destructible surfactants.