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135917

Sigma-Aldrich

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:
39896-06-5
Molecular Weight:
147.65
Beilstein:
3675063
EC Number:
254-682-1
MDL number:
MFCD00012727
UNSPSC Code:
12352100
PubChem Substance ID:
24848244
NACRES:
NA.22

Quality Level

100

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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Certificates of Analysis (COA)

Lot/Batch Number
1358369
08808AJ
10929EH
09912MD
12228AS

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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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