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5-Chlorpent-1-yn
5-chloropent-1-yne · 4-PENTYNYL CHLORIDE · EOS-60333 · Chloro-1-pent · 5-Chloropentyne · 5-chloro-1-pentyn · 5-chloro -1-pentyl · 1-Chloro-4-pentyne
Identifikatoren & physikalische Daten
| CAS No. | 14267-92-6 |
|---|---|
| Summenformel | C5H7Cl |
| Durchschnittliche Molmasse | 102,56 g/mol |
| Monoisotopische Masse | 102,0236279 g/mol |
| SMILES | C#CCCCCl |
| InChIKey | UXFIKVWAAMKFQE-UHFFFAOYSA-N |
| PubChem CID | 84308 |
| EC No. | 238-159-5 |
| DTXSID | DTXSID3065742 |
| Lokaler Name | 5-Chlorpent-1-yn |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 57,6 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -61°C (estimate) |
| Siedepunkt | 67-69 °C145 mm Hg(lit.) |
| Dichte | 0.968 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.444(lit.) |
| Flammpunkt | 60 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Methanol (Slightly)Not miscible in water. |
| Aggregatzustand | Liquid |
| Wichte | 0.968 |
| Farbe | Clear colorless to light brown |
| BRN | 1736710 |
| InChI | 1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2 |
| InChIKey | UXFIKVWAAMKFQE-UHFFFAOYSA-N |
| SMILES | ClCCCC#C |
| CAS Datenbank | 14267-92-6(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Chloro-1-pentyne(14267-92-6) |
| EPA chemische Informationen | 1-Pentyne, 5-chloro- (14267-92-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29032900 |
| R-Sätze (R) | 11-38-36/37/38 |
| Gefahrensymbole | F,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-16 |
| Gefahrenklasse | 3Flam. Liq. 2Skin Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
5-Chloro-1-pentyne is used with α-diazoesters in a copper-catalyzed synthesis of pyrazoles. It is also used in the synthesis of 5-chloro-2-trimethylstannyl-1-pentene by reacting with Me3SnCu.Me2S.