HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Phenylcyclopentane-1-carbonyl chloride
α-Phenylcyclopentanecarbonyl chloride · CYCLOPENTANECARBONYL CHLORIDE,1-PHENYL- · 1-Phenylcyclopentane-1-carbonyl chloride · 1-Phenylcyclopentanecarboxylic acid chloride
Identifikatoren & physikalische Daten
| CAS No. | 17380-62-0 |
|---|---|
| Summenformel | C12H13ClO |
| Durchschnittliche Molmasse | 208,68 g/mol |
| Monoisotopische Masse | 208,06549272 g/mol |
| SMILES | O=C(Cl)C1(c2ccccc2)CCCC1 |
| InChIKey | NOYKUYNVZHTPCI-UHFFFAOYSA-N |
| PubChem CID | 12378905 |
| EC No. | 809-187-0 |
| DTXSID | DTXSID20495313 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 212 |
| Schmelzpunkt | 105-107 °C |
| Siedepunkt | 88-90 °C(Press: 0.4 Torr) |
| Dichte | 1.175±0.06 g/cm3(Predicted) |
| Aggregatzustand | solid |
| InChI | InChI=1S/C12H13ClO/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2 |
| InChIKey | NOYKUYNVZHTPCI-UHFFFAOYSA-N |
| SMILES | C(Cl)(C1(C2=CC=CC=C2)CCCC1)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
1-Phenyl-cyclopentanecarbonyl chloride was a useful reactant for the discovery and preparation of piperazinylquinoline derivatives as novel respiratory syncytial virus fusion inhibitors.