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Cyclohexancarbonylchlorid
CYCLOHEXANECARBONYL CHLORIDE · SKL1290 · ohexanecarbonyL · AKOS BBS-00003918 · Cyclohexanoyl chloride · Cyclotexaformyl Chloride · Chlorocarbonylcyclohexane · HEXAHYDROBENZOYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 2719-27-9 |
|---|---|
| Summenformel | C7H11ClO |
| Durchschnittliche Molmasse | 146,61 g/mol |
| Monoisotopische Masse | 146,04984265 g/mol |
| SMILES | O=C(Cl)C1CCCCC1 |
| InChIKey | RVOJTCZRIKWHDX-UHFFFAOYSA-N |
| PubChem CID | 75938 |
| EC No. | 220-322-7 |
| DTXSID | DTXSID8062608 |
| Lokaler Name | Cyclohexancarbonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 105 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 184 °C (lit.) |
| Dichte | 1.096 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.469(lit.) |
| Flammpunkt | 152 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Wichte | 1.096 |
| Farbe | Clear colorless to straw |
| Löslichkeit | HYDROLYSES |
| BRN | 742163 |
| InChI | 1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2 |
| InChIKey | RVOJTCZRIKWHDX-UHFFFAOYSA-N |
| SMILES | ClC(=O)C1CCCCC1 |
| CAS Datenbank | 2719-27-9(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclohexanecarbonyl chloride(2719-27-9) |
| EPA chemische Informationen | Cyclohexanecarbonyl chloride (2719-27-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (18.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16373Cyclohexanecarboxylic acid chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (18.6%) |
| F | 9-19-21 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29162000 |
| R-Sätze (R) | 34-37-22 |
| Toxizität | LD50 orally in Rabbit: 965 mg/kg |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-28-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Cyclohexanecarbonyl chloride is used in the preparation of five thiourea derivative ligands having anti-bacterial and anti-yeast activity, (N-(diethylcarbamothioyl)cyclohexanecarboxamide, N-(di-n-propylcarbamothioyl)cyclohexanecarboxamide, di-n-butylcarbamothioyl)cyclohexanecarboxamide, N-(diphenylcarbamothioyl)cyclohexanecarboxamide, N-(morpholine-4-carbonothioyl)cyclohexanecarboxamide.