3-Quinuclidinyl benzilate

Modify Date: 2024-01-03 20:35:28

3-Quinuclidinyl benzilate Structure
3-Quinuclidinyl benzilate structure
Common Name 3-Quinuclidinyl benzilate
CAS Number 6581-06-2 Molecular Weight 337.41200
Density 1.25g/cm3 Boiling Point 439ºC at 760 mmHg
Molecular Formula C21H23NO3 Melting Point 164ºC
MSDS Chinese USA Flash Point 219.3ºC
Symbol GHS06
GHS06
Signal Word Danger

 Names

Name 3-Quinuclidinyl benzilate
Synonym More Synonyms

 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
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

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3-Quinuclidinyl benzilate Structure

3-Quinuclidinyl...

CAS#:6581-06-2

Literature: Journal of the American Chemical Society, , vol. 74, p. 2219

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3-Quinuclidinyl benzilate Structure

3-Quinuclidinyl...

CAS#:6581-06-2

Literature: Journal of the American Chemical Society, , vol. 74, p. 2219

~%

3-Quinuclidinyl benzilate Structure

3-Quinuclidinyl...

CAS#:6581-06-2

Literature: Journal of the American Chemical Society, , vol. 74, p. 2219

~%

3-Quinuclidinyl benzilate Structure

3-Quinuclidinyl...

CAS#:6581-06-2

Literature: Journal of the American Chemical Society, , vol. 74, p. 2219

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3-Quinuclidinyl benzilate Structure

3-Quinuclidinyl...

CAS#:6581-06-2

Literature: US2843593 , ;

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3-Quinuclidinyl benzilate Structure

3-Quinuclidinyl...

CAS#:6581-06-2

Literature: Pharmaceutical Chemistry Journal, , vol. 19, # 9 p. 602 - 604 Khimiko-Farmatsevticheskii Zhurnal, , vol. 19, # 9 p. 1060 - 1061

 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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Muscarinic acetylcholine receptors (mAChRs) of rat cerebral cortex were evaluated using a tissue segment radioligand binding assay. [(3)H]-Quinuclidinyl benzilate (QNB, a hydrophobic ligand) specifica...

 Synonyms

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