135917
Quinuclidine hydrochloride
97%
Synonym(s):
1-Azabicyclo[2.2.2]octane hydrochloride
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About This Item
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Quality Level
Assay
97%
form
solid
mp
>300 °C (lit.)
SMILES string
Cl[H].C1CN2CCC1CC2
InChI
1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChI key
BZLBBZLOMXKMTA-UHFFFAOYSA-N
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General description
Quinuclidine stabilises the group 13 trihydrides, particularly for use in chemical vapour deposition techniques.
Application
Quinuclidine hydrochloride was used in the synthesis of quinuclidine adducts with group 13 trihydride molecules, MH3 (M = B, Al) and their structure elucidation by gas-phase electron diffraction and quantum chemical calculations. It was used to investigate series of organic hydrochloride salts by solid-state 35Cl and 37Cl NMR spectroscopy.
Storage Class Code
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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High-field chlorine NMR spectroscopy of solid organic hydrochloride salts: a sensitive probe of hydrogen bonding environment.
The Journal of Physical Chemistry A, 105(45), 10413-10421 (2001)
Dalton transactions (Cambridge, England : 2003), (17)(17), 1687-1696 (2007-04-20)
The structure of quinuclidine, HC(CH(2)CH(2))(3)N, has been re-investigated by quantum chemical calculations and by gas-phase electron diffraction (GED). The GED data, together with published rotational constants, have been analysed using the SARACEN method to determine the most reliable structure (r(h1))
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