135917
Quinuclidine hydrochloride
97%
Synonym(s):
1-Azabicyclo[2.2.2]octane hydrochloride
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About This Item
Empirical Formula (Hill Notation):
C7H13N · HCl
CAS Number:
Molecular Weight:
147.65
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
254-682-1
Beilstein/REAXYS Number:
3675063
MDL number:
Assay:
97%
Form:
solid
Quality Level
InChI key
BZLBBZLOMXKMTA-UHFFFAOYSA-N
InChI
1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
SMILES string
Cl[H].C1CN2CCC1CC2
assay
97%
form
solid
mp
>300 °C (lit.)
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
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
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Derek A Wann et al.
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))
High-field chlorine NMR spectroscopy of solid organic hydrochloride salts: a sensitive probe of hydrogen bonding environment.
Bryce DL, et al.
The Journal of Physical Chemistry A, 105(45), 10413-10421 (2001)
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