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197602

Quinuclidine

97%

Synonym(s):

1-Azabicyclo[2.2.2]octane, ABCO

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About This Item

Empirical Formula (Hill Notation):
C7H13N
CAS Number:
100-76-5
Molecular Weight:
111.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851837
EC Number:
202-887-1
Beilstein/REAXYS Number:
103111
MDL number:
MFCD00006690
Assay:
97%
Form:
solid
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vapor pressure

1.5 mmHg ( 20 °C)

Quality Segment

100

assay

97%

form

solid

manufacturer/tradename

ECACC

mp

157-160 °C (lit.)

solubility

H2O: very slightly soluble, H2O: very soluble, alcohol: miscible, diethyl ether: miscible, organic solvents: very soluble

SMILES string

C1CN2CCC1CC2

InChI

1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2

InChI key

SBYHFKPVCBCYGV-UHFFFAOYSA-N

Gene Information

rat ... Chrm1(25229)

General description

Quinuclidine is a bicyclic tertiary amine with a bridgehead nitrogen atom structure, often used in the synthesis of iodonium complexes and as a hydrogen-atom-transfer (HAT) catalyst in photo induced reactions.

Application

Quinuclidine can be used as a catalyst:
  • In the Baylis-Hillman reaction of aldehydes with methyl acrylate.
  • For the epimerization of α-methylglucose to α-methylallose.
It can also be used as a reactant to synthesize 5-[4-[2-(acetyloxy)ethyl]-1-piperidinyl]-2-pyridinecarbonitrile by reacting with 5-bromo-2-pyridinecarbonitrile in the presence of potassium acetate.

pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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