3D Mol Similar

QUINUCLIDINE HYDROCHLORIDE

: Iupac Name：1-azabicyclo[2.2.2]octane;hydrochloride; CAS No.: 39896-06-5; Molecular Weight：147.646; Modify Date.: 2022-12-06 20:31

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1. Names and Identifiers

: 1.1 Name; QUINUCLIDINE HYDROCHLORIDE; 1.2 Synonyms; 1,4-Ethylenepiperidine hydrochloride 1-AZABICYCLO[2.2.2]OCTANE HYDROCHLORIDE Quinuclidin-1-ium chloride QuinuclidineHCl

1.3 CAS No.: 39896-06-5

1.4 EINECS(EC#): 254-682-1

1.5 Molecular Formula: C7H14ClN (isomer)

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

1.7 InChIkey: BZLBBZLOMXKMTA-UHFFFAOYSA-N

1.8 Canonical Smiles: Cl.C1CN2CCC1CC2

1.9 Isomers Smiles: C1CN2CCC1CC2.Cl

2. Properties

2.1 Melting point: >300?°C(lit.)

3. Safety and Handling

3.1 Safety Statements: 22-24/25

3.1 RIDADR: UN 2811 6.1/PG 3

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H315 Causes skin irritation H319 Causes serious eye irritation H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : D2O

1H NMR : 400 MHz in D2O

IR : KBr disc

IR : nujol mull

Raman : 4880 A,200 M,powder

Mass

6. Synthesis Route

39896-06-5Total: 1 Synthesis Route

100-76-5 51 Suppliers

35509-87-6

18370-19-9

39896-06-5 19 Suppliers

Literatures:
Dworniczak, Miroslaw; Jarczewski, Arnold Acta Chimica Hungarica, 1989 , vol. 126, # 5 p. 599 - 604
Yield: null

7. Other Information

7.0 Merck: 14,8081

7.1 BRN: 3675063

7.2 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.

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

8. Recommended Suppliers

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1-Azabicyclo[2.2.2]octane,hydrochloride (9CI)

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2023/05/17

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Finetech Industry limited. Audited Suppliers

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QUINUCLIDINE HYDROCHLORIDE

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2018/11/21

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Hangzhou J&H Chemical Co., Ltd Audited Suppliers

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quinuclidine hydrochloride