39896-06-5

Basic information

• Product Name: QUINUCLIDINE HYDROCHLORIDE
• Synonyms: QUINUCLIDINE HYDROCHLORIDE;1-AZABICYCLO[2.2.2]OCTANE HYDROCHLORIDE;QUINUCLIDINE HYDROCHLORIDE 98+%;QuinuclidineHCl;1,4-Ethylenepiperidine hydrochloride
• CAS NO: 39896-06-5
• Molecular Formula: C₇H₁₄N*Cl
• Molecular Weight: 147.65
• EINECS: 254-682-1
• Mol File: 39896-06-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: >300 °C(lit.)
• Boiling Point: 149.5 °C at 760 mmHg
• Flash Point: 36.5 °C
• Appearance: /
• Vapor Pressure: 4.01mmHg at 25°C
• Solubility: H2O: 0.1 g/mL, clear
• Merck: 14,8081
• BRN: 3675063
• CAS DataBase Reference: QUINUCLIDINE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: QUINUCLIDINE HYDROCHLORIDE(39896-06-5)
• EPA Substance Registry System: QUINUCLIDINE HYDROCHLORIDE(39896-06-5)

Safety Data

• Safety Statements: 22-24/25
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 39896-06-5(Hazardous Substances Data)

Usage

Uses

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.

General Description

Quinuclidine stabilises the group 13 trihydrides, particularly for use in chemical vapour deposition techniques.

InChI:InChI=1/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H

Upstream product

• 100-76-5 Quinuclidine 
• 35509-87-6 1,1-dichloro-2,2-bis-(4-nitrophenyl)ethane 
• 98821-29-5 trans-1-propene-1-sulfonyl chloride 
• 6608-47-5 vinylsulfonyl chloride 

Downstream Products

• 7440-74-6 indium 
• 100-76-5 Quinuclidine 
• 6238-30-8 3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile 

Relevant articles and documents

KINETICS AND ISOTOPE EFFECTS OF THE β-ELIMINATION REACTIONS OF 1,1-DICHLORO-2,2-BIS-(4-NITROPHENYL)-ETHANE PROMOTED BY PIPERIDINE, PYRROLIDINE AND QUINUCLIDINE BASES IN ACETONITRILE SOLVENT

The kinetics of the reaction of 1,1-dichloro-2,2-bis-(4-nitrophenyl)ethane (I) with piperidine, pyrrolidine and quinuclidine bases in acetonitrile solvent are reported.The reaction is complex, leading to 1-amino-2,2-bis-(4-nitrophenyl)ethene (III) as the final product via the intermediate 1-chloro-2,2-bis-(4-nitrophenyl)ethene (II).The reaction shows a 100percent conversion of the substrate (I) to (II).The rate of reaction of I to II is several times faster than II to III, allowing for kinetic measurements of the initial step.The entropies of activation (ΔS*/J mol-1K-1) are negative and large (-184, -149, -145) for the reaction with piperidine, pyrrolidine and quinuclidine respectively.The free enthalpy of activation (ΔG*/kJ mol-1) are rather small, oscillating between 75-79 kJ mol-1.The kinetic isotope effects kH/kD fall between 6.8 and 7.6 at 20 deg C.The results obtained are interpreted in terms of E2H with a contribution of (E1cB)I mechanism.