6581-06-2

6581-06-2 structure

Name: 3-Quinuclidinyl benzilate
Chemical Name: 3-Quinuclidinyl benzilate
CAS Number: 6581-06-2
Molecular Formula: C₂₁H₂₃NO₃
Molecular Weight: 337.41200
Catalog: Organic raw materials Heterocyclic compound
Create Date: 2018-07-18 00:09:09
Modify Date: 2024-01-03 20:35:28

Name	3-Quinuclidinyl benzilate
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

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	powder \| white
Index of Refraction	1.637
Water Solubility	chloroform: but decomposes within 24 hrssoluble

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

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

1619-34-7

6581-06-2

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

3731-38-2

6581-06-2

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

1838-39-7

6581-06-2

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

1193-65-3

6581-06-2

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

76-89-1

6581-06-2

Literature: US2843593 , ;

76-93-7

1619-34-7

6581-06-2

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

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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