4-Azabicyclo[2.2.2]octane
quinuclidine
CAS: 100-76-5
Molecular Formula: C7H13N
4-Azabicyclo[2.2.2]octane - Names and Identifiers
| Name | quinuclidine |
| Synonyms | Chinuclidin quinuclidine QUINUCLIDINE 1,4-ethanopiperidine 1,4-ethylidinepiperidine 1-Azabicyclo[2.2.2]octan 1-AZABICYCLO[2.2.2]OCTANE 1-azabicyclo[2.2.2]octane 4-Azabicyclo[2.2.2]octane |
| CAS | 100-76-5 |
| EINECS | 202-887-1 |
| InChI | InChI=1/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2 |
| InChIKey | SBYHFKPVCBCYGV-UHFFFAOYSA-N |
4-Azabicyclo[2.2.2]octane - Physico-chemical Properties
| Molecular Formula | C7H13N |
| Molar Mass | 111.18 |
| Density | 0.8928 (rough estimate) |
| Melting Point | 157-160 °C (lit.) |
| Boling Point | 198.35°C (rough estimate) |
| Flash Point | 36.5°C |
| Water Solubility | Soluble in alcohol, diethyl ether, water and organic solvents. |
| Solubility | H2O: very slightly soluble |
| Vapor Presure | 1.5 mm Hg ( 20 °C) |
| Appearance | powder to crystal |
| Color | White to Light yellow |
| Merck | 14,8081 |
| BRN | 103111 |
| pKa | 10.87±0.33(Predicted) |
| Sensitive | Air Sensitive |
| Refractive Index | 1.4500 (estimate) |
4-Azabicyclo[2.2.2]octane - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R24/25 - R38 - Irritating to the skin R41 - Risk of serious damage to eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | CL5594625 |
| FLUKA BRAND F CODES | 2-10 |
| TSCA | Yes |
| Hazard Class | 8 |
| Packing Group | III |
4-Azabicyclo[2.2.2]octane - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | a ligand for the Study of the OsO4-catalyzed dihydroxylation of olefins; for the formation of onium salts required for the detection of PAC-antagonist activity |
Last Update：2024-04-09 19:55:45
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