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| Name |
7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate |
EINECS | N/A |
| CAS No. | 89398-07-2 | Density | 1.113g/cm3 |
| PSA | 99.98000 | LogP | 2.96570 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H19NS•ClHO4 | Boiling Point | 343.1°Cat760mmHg |
| Molecular Weight | 333.86 | Flash Point | 161.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A poison by ingestion. |
| 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; |
7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate Chemical Properties
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
7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate Toxicity Data With Reference
| 1. | orl-mus LD50:128 mg/kg | FCTOD7 Food and Chemical Toxicology. 38 (2000),817. |
7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate 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 .
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