CAS 6581-06-2|3-Quinuclidinyl benzilate
| 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 | ChineseUSA | Flash Point | 219.3ºC |
| Symbol | 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 |
| InChIKey | HGMITUYOCPPQLE-UHFFFAOYSA-N |
| SMILES | O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 |
| Water Solubility | chloroform: but decomposes within 24 hrssoluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
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
- 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 |
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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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 |
