| Identification | More | [Name]
QUINUCLIDINE | [CAS]
100-76-5 | [Synonyms]
1,4-ETHYLENEPIPERIDINE
1-AZABICYCLO[2.2.2]OCTANE
QUINUCLIDINE
1,4-ethanopiperidine
1,4-ethylidinepiperidine
1-Azabicyclo[2.2.2]octan
4-Azabicyclo[2.2.2]octane
Chinuclidin | [EINECS(EC#)]
202-887-1 | [Molecular Formula]
C7H13N | [MDL Number]
MFCD00006690 | [Molecular Weight]
111.18 | [MOL File]
100-76-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
157-160 °C (lit.) | [Boiling point ]
198.35°C (rough estimate) | [density ]
0.8928 (rough estimate) | [vapor pressure ]
1.5 mm Hg ( 20 °C)
| [refractive index ]
1.4500 (estimate) | [solubility ]
H2O: very slightly soluble | [form ]
powder to crystal | [pka]
10.87±0.33(Predicted) | [color ]
White to Light yellow | [Water Solubility ]
Soluble in alcohol, diethyl ether, water and organic solvents. | [Sensitive ]
Air Sensitive | [Merck ]
13,8173 | [BRN ]
103111 | [InChIKey]
SBYHFKPVCBCYGV-UHFFFAOYSA-N | [CAS DataBase Reference]
100-76-5(CAS DataBase Reference) | [EPA Substance Registry System]
1-Azabicyclo[2.2.2]octane (100-76-5) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R24/25:Toxic in contact with skin and if swallowed .
R38:Irritating to the skin.
R41:Risk of serious damage to eyes. | [Safety Statements ]
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 label where possible) . | [RIDADR ]
UN 2811 6.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
CL5594625
| [F ]
2-10 | [TSCA ]
Yes | [HS Code ]
2933.39.9200 | [HazardClass ]
8 | [PackingGroup ]
III |
| Hazard Information | Back Directory | [Hazard]
A poison by ingestion and skin contact.
Low toxicity by inhalation. A moderate skin and
severe eye irritant.
| [Uses]
Quinuclidine acts as a catalyst, a chemical building block and is used in organic synthesis. It is employed to prepare quinine and alkaloids. It finds application as a ligand, which is useful in the studies of OsO4-catalyzed dihydroxylation of olefins. It plays an important role in the formation of onium salts used testing of PAC-antagonist activity. | [Definition]
ChEBI: Quinuclidine is a saturated organic heterobicyclic parent and a member of quinuclidines. | [Purification Methods]
Crystallise it from diethyl ether. The hydrochloride has m 364-365o(dec) (from EtOH or n-BuOH), and the picrate has m 225o (from aqueous EtOH). [Beilstein 20 H 144, 20 II 71, 20 III/IV 1966, 20/4 V 335.] |
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