CAS 6581-06-2|3-Quinuclidinyl benzilate

Introduction:Basic information about CAS 6581-06-2|3-Quinuclidinyl benzilate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-Quinuclidinyl benzilate
CAS Number6581-06-2Molecular Weight337.41200
Density1.25g/cm3Boiling Point439ºC at 760 mmHg
Molecular FormulaC21H23NO3Melting Point164ºC
MSDSChineseUSAFlash Point219.3ºC
Symbol
GHS06
Signal WordDanger

Names

Name3-Quinuclidinyl benzilate
SynonymMore Synonyms

Chemical & Physical Properties

Density1.25g/cm3
Boiling Point439ºC at 760 mmHg
Melting Point164ºC
Molecular FormulaC21H23NO3
Molecular Weight337.41200
Flash Point219.3ºC
Exact Mass337.16800
PSA49.77000
LogP2.49780
Appearance of Characterspowder | white
Index of Refraction1.637
InChIKeyHGMITUYOCPPQLE-UHFFFAOYSA-N
SMILESO=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1
Water Solubilitychloroform: 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 WordDanger
Hazard StatementsH300
Precautionary StatementsP264-P301 + P310
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard CodesXn
Risk Phrases22
Safety Phrases28-36/37-45
RIDADRUN 2811 6.1 / PGII
WGK Germany3
RTECSDD4638000
HS Code2933391000

Customs

HS Code2933391000
Summary2933391000 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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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
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