39896-06-5

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39896-06-5 Structure

Identification	Back Directory
[Name] QUINUCLIDINE HYDROCHLORIDE
[CAS] 39896-06-5
[Synonyms] QuinuclidineHCl QUINUCLIDINE HYDROCHLORIDE Quinuclidin-1-ium chloride QUINUCLIDINE HYDROCHLORIDE 98+% 1,4-Ethylenepiperidine hydrochloride 1-AZABICYCLO[2.2.2]OCTANE HYDROCHLORIDE
[EINECS(EC#)] 254-682-1
[Molecular Formula] C7H14ClN
[MDL Number] MFCD00012727
[MOL File] 39896-06-5.mol
[Molecular Weight] 147.65

Chemical Properties	Back Directory
[Melting point ] >300 °C(lit.)
[solubility ] H₂O: 0.1 g/mL, clear
[form ] powder to crystal
[color ] White to Almost white
[Merck ] 14,8081
[BRN ] 3675063
[InChI] InChI=1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
[InChIKey] BZLBBZLOMXKMTA-UHFFFAOYSA-N
[SMILES] C12CCN(CC1)CC2.Cl

Safety Data	Back Directory
[Safety Statements ] 22-24/25
[RIDADR ] UN 2811 6.1/PG 3
[WGK Germany ] 3
[HS Code ] 2933.39.6190
[HazardClass ] 6.1(b)
[PackingGroup ] III
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects

Raw materials And Preparation Products	Back Directory
[Raw materials] Sodium hydroxide-->Hydrochloric acid-->4-Piperidineethanol

Hazard Information	Back Directory
[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.

Spectrum Detail	Back Directory
[Spectrum Detail] QUINUCLIDINE HYDROCHLORIDE(39896-06-5)MS QUINUCLIDINE HYDROCHLORIDE(39896-06-5)¹HNMR QUINUCLIDINE HYDROCHLORIDE(39896-06-5)¹³CNMR QUINUCLIDINE HYDROCHLORIDE(39896-06-5)IR1 QUINUCLIDINE HYDROCHLORIDE(39896-06-5)IR2 QUINUCLIDINE HYDROCHLORIDE(39896-06-5)Raman

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