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3-Quinuclidinol

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3-Quinuclidinol

EINECS 216-578-4
CAS No. 1619-34-7 Density 1.13 g/cm3
PSA 23.47000 LogP 0.01080
Solubility soluble in water Melting Point 220-223 °C(lit.)
Formula C7H13NO Boiling Point 206.9 °C at 760 mmHg
Molecular Weight 127.186 Flash Point 97.7 °C
Transport Information UN 3263 8/PG 2 Appearance Crystalline solid
Safety 26-36/37/39-45-16 Risk Codes 34-11
Molecular Structure Molecular Structure of 1619-34-7 (3-Quinuclidinol) Hazard Symbols FlammableF, CorrosiveC
Synonyms

3-Quinuclidinol (6CI,7CI,8CI);1-Azabicyclo[2.2.2]oct-3-yl alcohol;3-Hydroxy-1-azabicyclo[2.2.2]octane;3-Hydroxyquinuclidine;NSC 93905;dl-3-Quinuclidinol;

Article Data 54

3-Quinuclidinol Chemical Properties

Product Name: 3-Quinuclidinol (CAS NO.1619-34-7)

Molecular Formula: C7H13NO
Molecular Weight: 127.18g/mol
EINECS: 216-578-4
Melting Point: 220-223 °C(lit.)
Boiling point: 206.9 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 97.7 °C
Density: 1.13 g/cm3
Index of Refraction: 1.549 
Molar Refractivity: 35.73 cm3 
Molar Volume: 112.2 cm3 
Surface Tension: 44.8 dyne/cm
Enthalpy of Vaporization: 51.55 kJ/mol
Vapour Pressure: 0.0545 mmHg at 25°C
XLogP3-AA: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 3-Quinuclidinol (CAS NO.1619-34-7):
  IUPAC Name: 1-azabicyclo[2.2.2]octan-8-ol
  Canonical SMILES: C1CN2CCC1C(C2)O
  InChI: InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2 
  InChIKey: IVLICPVPXWEGCA-UHFFFAOYSA-N
Product Categories: Pharmaceutical material and intermeidates; Quinuclidine derivatives; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals

3-Quinuclidinol Uses

 3-Quinuclidinol (CAS NO.1619-34-7) is used as synthon for preparation of cholinergic receptor ligands and anesthetics.

3-Quinuclidinol Toxicity Data With Reference

1.    

cyt-ham-ipr 10 mg/kg

    ACNSAX    Activitas Nervosa Superior. 17 (1975),253.

3-Quinuclidinol Consensus Reports

Reported in EPA TSCA Inventory.

3-Quinuclidinol Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Safety information of 3-Quinuclidinol (CAS NO.1619-34-7):
Hazard Codes  C,F
Risk Statements 
34  Causes burns
11  Highly Flammable
Safety Statements 
26  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39  Wear suitable protective clothing, gloves and eye/face protection
45  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
16  Keep away from sources of ignition - No smoking
RIDADR  UN 3263 8/PG 2
WGK Germany  3
RTECS  VD6191700
F  34
Hazard Note  Corrosive
HazardClass  8
PackingGroup  III

3-Quinuclidinol Specification

 3-Quinuclidinol , its CAS NO. is 1619-34-7, the synonyms are 3-Quinuclidinol dl-form ; Quinuclidinol ; 1-Azabicyclo(2.2.2)octan-3-ol  Quinuclidin-3-ol ; 3-Hydroxyquinuclidine . 

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