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3-Cyclopentylpropionylchlorid
3-CYCLOPENTYLPROPIONYL CHLORIDE · CYCLOPENTANEPROPIONYL CHLORIDE · SKL1200 · AKOS BBS-00003910 · Cyclopentylpropionyl chloride · Cyelopentylpropionyl chloride · 3-CYCLOPENTYL PROPOYL CHLORIDE · Cyclopentanepropanoyl-chloride-
Identifikatoren & physikalische Daten
| CAS No. | 104-97-2 |
|---|---|
| Summenformel | C8H13ClO |
| Durchschnittliche Molmasse | 160,64 g/mol |
| Monoisotopische Masse | 160,06549272 g/mol |
| SMILES | O=C(Cl)CCC1CCCC1 |
| InChIKey | SZQVEGOXJYTLLB-UHFFFAOYSA-N |
| PubChem CID | 66039 |
| EC No. | 203-257-9 |
| DTXSID | DTXSID00146210 |
| Lokaler Name | 3-Cyclopentylpropionylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 116 |
| Siedepunkt | 199-200 °C(lit.) |
| Dichte | 1.049 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.464(lit.) |
| Flammpunkt | 184 °F |
| Aggregatzustand | liquid |
| BRN | 1856952 |
| InChI | InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2 |
| InChIKey | SZQVEGOXJYTLLB-UHFFFAOYSA-N |
| SMILES | C1(CCC(Cl)=O)CCCC1 |
| CAS Datenbank | 104-97-2(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopentylpropionyl chloride(104-97-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-07-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/225273-Cyclopentyl propionyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 2914790090 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Cyclopentylpropionyl Chloride is an synthetic intermediate in the synthesis of new family of type 3 17β-Hydroxysteroid dehydrogenase inhibitors.