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6581-06-2

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Basic Information
CAS No.: 6581-06-2
Name: 3-Quinuclidinyl benzilate
Article Data: 11
Molecular Structure:
Molecular Structure of 6581-06-2 (3-Quinuclidinyl benzilate)
Formula: C21H23 N O3
Molecular Weight: 337.419
Synonyms: Benzilicacid, 3-quinuclidinyl ester (6CI,7CI,8CI); 3-Quinuclidinol, benzilate (ester)(8CI); 3-Hydroxyquinuclidine benzilate; 3-Oxyquinuclidine benzilate;3-Quinuclidinol benzilate; 3-Quinuclidinyl benzilate; 3-Quinuclidyl benzilate;Agent BZ; BZ; BZ (chemical warfare agent); NSC 173698; QNB; Ro 2-3308; b-Quinuclidinyl benzilate
Density: 1.25g/cm3
Melting Point: 164oC
Boiling Point: 439oC at 760 mmHg
Flash Point: 219.3oC
Hazard Symbols: Xn
Risk Codes: 22-26
Safety: Poison by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 49.77000
LogP: 2.49780
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Chemistry

The MF of 3-QUINUCLIDINOL BENZILATE(6581-06-2): C21H23NO3
The MW of 3-QUINUCLIDINOL BENZILATE(6581-06-2): 337.41
Density: 1.25 g/cm3
Flash Point: 219.3 °C 
Boiling Point: 439 °C at 760 mmHg 
Index of Refraction: 1.637 
storage temp.: 2-8 °C
Appearance: Colourless solid
solubility: chloroform: but decomposes within 24 hrssoluble
Synonyms: 1-Azabicyclo(2.2.2)octan-3-ol, benzilate;1-azabicyclo(2.2.2)octan-3-ol,benzilate;1-Azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate;3-(2,2-diphenyl-2-hydroxyethanoyloxy)-quinuclidine;3-Chinuclidylbenzilate;3-Hydroxyquinuclidine benzilate;3-Oxyquinuclidine benzilate;3-Quinuclidinol benzilate
The Structure of 3-QUINUCLIDINOL BENZILATE(6581-06-2):

Toxicity Data With Reference

1.   

mmo-smc 5 mmol/L

   ACNSAX    Activitas Nervosa Superior. 17 (1975),252.
2.   

cyt-mus-ipr 30 mg/kg

   ACNSAX    Activitas Nervosa Superior. 17 (1975),252.
3.   

dlt-mus-ipr 100 mg/kg

   ACNSAX    Activitas Nervosa Superior. 17 (1975),252.
4.   

cyt-ham-ipr 40 mg/kg/6H-I

   ACNSAX    Activitas Nervosa Superior. 17 (1975),252.
5.   

ivn-mus LD50:25 mg/kg

   CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#11998 .

Safety Profile

Poison by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: Xn
Risk Statements: 22
22:  Harmful if swallowed 
WGK Germany: 3
RTECS: DD4638000