HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Prop-2-yn-1-yl)cyclohexane
Prop-2-yn-1-ylcyclohexane · 3-Cyclohexylpropyne · 3-cyclohexyl-propyn · Propargylcyclohexane · propyne,3-cyclohexyl- · 2-propynylcyclohexane · 2-propynyl-cyclohexan · 3-Cyclohexyl-1-propyne
Identifikatoren & physikalische Daten
| CAS No. | 17715-00-3 |
|---|---|
| Summenformel | C9H14 |
| Durchschnittliche Molmasse | 122,21 g/mol |
| Monoisotopische Masse | 122,10955045 g/mol |
| SMILES | C#CCC1CCCCC1 |
| InChIKey | UARFKZSJGDQRLF-UHFFFAOYSA-N |
| PubChem CID | 87265 |
| EC No. | 626-106-2 |
| DTXSID | DTXSID90170261 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 109 |
| SpringerMaterials Properties | Density |
| Siedepunkt | 157-158 °C(lit.) |
| Dichte | 0.845 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4590(lit.) |
| Flammpunkt | 95 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | Slightly soluble in water. |
| BRN | 1849402 |
| InChI | 1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,9H,3-8H2 |
| InChIKey | UARFKZSJGDQRLF-UHFFFAOYSA-N |
| SMILES | C#CCC1CCCCC1 |
| CAS Datenbank | 17715-00-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2902110000 |
| RTECS-Nr. | UK4725000 |
| R-Sätze (R) | 10-22-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Cyclohexyl-1-propyne, is used as a pharmaceutical intermediate. It can be used to produce (5-bromo-4,4,5,5-tetrafluoro-pent-2-enyl)-cyclohexane at the temperature of 40°C. It will need reagents (NH4)2S2O8, HCO2Na·2H2O and solvent dimethylformamide with the reaction time of 3 hours. It is also used as organic synthesis intermediates.