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ChemicalBook--->CAS DataBase List--->100-76-5

100-76-5

100-76-5 Structure

100-76-5 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

QUINUCLIDINE(100-76-5)MS
QUINUCLIDINE(100-76-5)1HNMR
QUINUCLIDINE(100-76-5)13CNMR
QUINUCLIDINE(100-76-5)IR1
QUINUCLIDINE(100-76-5)IR2
QUINUCLIDINE(100-76-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

100-76-5(sigmaaldrich)
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