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| CAS No.: | 89398-07-2 |
|---|---|
| Name: | 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane perchlorate (1:1) |
| Molecular Structure: | |
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| Formula: | C14H19NS•ClHO4 |
| Molecular Weight: | 333.86 |
| Synonyms: | 7-(Phenylmethyl)-3-thia-7-azabicyclo(3.3.1)nonane perchlorate;3-benzyl-7-thia-3-azabicyclo[3.3.1]nonane; perchloric acid;3-benzyl-7-thia-3-azabicyclo[3.3.1]nonane;3-Thia-7-azabicyclo[3.3.1]nonane,7-(phenylmethyl)-,perchlorate;7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane;BRB-I-28 perchlorate;Brb I 28;7-Btabn;3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate;BRB-I 28;3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-;Brb-I-28;89398-06-1;7-benzyl-3-thia-7-azabicyclo(3.3.1)nonane Perchlorate; |
| Density: | 1.113g/cm3 |
| Boiling Point: | 343.1°Cat760mmHg |
| Flash Point: | 161.3°C |
| Hazard Symbols: | A poison by ingestion. |
| Safety: | A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−. |
| PSA: | 99.98000 |
| LogP: | 2.96570 |
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Chemistry
Molecular Structure of 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate (CAS NO.89398-07-2):
IUPAC: 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane perchlorate (1:1)
Molecular Formula: C14H20ClNO4S
Molecular Weight: 333.8309
H bond acceptors: 1
Flash Point: 161.3oC
Boiling Point: 343.1oC at 760 mmHg
Enthalpy of Vaporization: 58.7 kJ/mol
Vapour Pressure: 7.18E-05 mmHg at 25oC
Product Categories: Drug / Therapeutic Agent
SMILES: O=Cl(=O)(=O)O.S3CC1CC(CN(C1)Cc2ccccc2)C3
InChI: InChI=1/C14H19NS.ClHO4/c1-2-4-12(5-3-1)7-15-8-13-6-14(9-15)11-16-10-13;2-1(3,4)5/h1-5,13-14H,6-11H2;(H,2,3,4,5)
InChIKey: TXIGULLQJOBKIJ-UHFFFAOYAG
Toxicity Data With Reference
| 1. | orl-mus LD50:128 mg/kg | FCTOD7 Food and Chemical Toxicology. 38 (2000),817. |
Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
Specification
7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate with cas registry number of 89398-07-2 is also known as 7-(Phenylmethyl)-3-thia-7-azabicyclo(3.3.1)nonane perchlorate ; BRB-I-28 perchlorate ; 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-,perchlorate . It would emit toxic vapors when heated to decomposition. 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate with cas registry number of 89398-07-2 is used as a drug . It is also used as a pharmaceutical intermediate .