3-Quinuclidinyl benzilate

Names

[ CAS No. ]:
6581-06-2

[ Name ]:
3-Quinuclidinyl benzilate

[Synonym ]:
ea2277
Ro 2-330
ro2-3308
CS 4030
3-Benziloyloxyquinuclidine
3-Chinuclidylbenzilate
(+/-)-3-quinuclidinyl benzilate
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
quinuclidinyl benzilate

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
439ºC at 760 mmHg

[ Melting Point ]:
164ºC

[ Molecular Formula ]:
C21H23NO3

[ Molecular Weight ]:
337.41200

[ Flash Point ]:
219.3ºC

[ Exact Mass ]:
337.16800

[ PSA ]:
49.77000

[ LogP ]:
2.49780

[ Appearance of Characters ]:
powder | white

[ Index of Refraction ]:
1.637

[ Water Solubility ]:
chloroform: but decomposes within 24 hrssoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD4638000
CHEMICAL NAME :
Benzilic acid, 3-quinuclidinyl ester
CAS REGISTRY NUMBER :
6581-06-2
LAST UPDATED :
199604
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C21-H23-N-O3
MOLECULAR WEIGHT :
337.45
WISWESSER LINE NOTATION :
T66 A B CNTJ AOVXQR&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
4500 ng/kg
TOXIC EFFECTS :
Cardiac - change in rate
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
4800 ng/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - local anesthetic Behavioral - hallucinations, distorted perceptions Behavioral - ataxia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human
DOSE/DURATION :
5 ug/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - ataxia Gastrointestinal - nausea or vomiting
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
103 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Dominant lethal test

MUTATION DATA

TEST SYSTEM :
Rodent - hamster
DOSE/DURATION :
40 mg/kg/6H (Intermittent)
REFERENCE :
ACNSAX Activitas Nervosa Superior. (Avicenum, Malostranske nam. 28, Prague 1, Czechoslovakia) V.1- 1959- Volume(issue)/page/year: 17,253,1975

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300

[ Precautionary Statements ]:
P264-P301 + P310

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22

[ Safety Phrases ]:
28-36/37-45

[ RIDADR ]:
UN 2811 6.1 / PGII

[ WGK Germany ]:
3

[ RTECS ]:
DD4638000

[ HS Code ]:
2933391000

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2933391000

[ Summary ]:
2933391000 quinuclidin-3-yl 2-hydroxy-2,2-diphenylacetate。supervision conditions:23(import license for dual-use item and technologies,export license for dual-use item and technologies)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%

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