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Cas Database |
| Name |
cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline |
EINECS | N/A |
| CAS No. | 76298-68-5 | Density | 1.33g/cm3 |
| PSA | 78.43000 | LogP | 4.64690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C25H23 N3 O3 S | Boiling Point | 620.8°C at 760 mmHg |
| Molecular Weight | 445.57 | Flash Point | 329.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-5-((4-methyl phenyl)sulfonyl)-3-phenyl-, cis- |
Article Data | 1 |
cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline Chemical Properties
IUPAC Name: 1-[(3S,3aR)-5-(4-Methylphenyl)sulfonyl-3-phenyl-3a,4-dihydro-3H-pyrazolo[4,3-c]quinolin-2-yl]ethanone
Following is the structure of cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline (CAS NO.76298-68-5):
Empirical Formula: C25H23N3O3S
Molecular Weight: 445.5334 g/mol
Surface Tension: 53.8 dyne/cm
Index of Refraction: 1.679
Density: 1.33 g/cm3
Flash Point: 329.3 °C
Enthalpy of Vaporization: 92 kJ/mol
Boiling Point: 620.8 °C at 760 mmHg
Vapour Pressure of cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline (CAS NO.76298-68-5): 2.45E-15 mmHg at 25 °C
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(N(N=C3C4=CC=CC=C42)C(=O)C)C5=CC=CC=C5
Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3[C@H](N(N=C3C4=CC=CC=C42)C(=O)C)C5=CC=CC=C5
InChI: InChI=1S/C25H23N3O3S/c1-17-12-14-20(15-13-17)32(30,31)27-16-22-24(21-10-6-7-11-23(21)27)26-28(18(2)29)25(22)19-8-4-3-5-9-19/h3-15,22,25H,16H2,1-2H3/t22-,25+/m0/s1
InChIKey: WIJORROJSDRJBY-WIOPSUGQSA-N
cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline Toxicity Data With Reference
| 1. | ipr-mus LD50:800 mg/kg | IJOCAP Indian Journal of Chemistry. 19 (1980),297. |
cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline Safety Profile
Moderately is toxic by intraperitoneal route. Experimental reproductive effects. When heated to decomposition, cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline (CAS NO.76298-68-5) emits toxic fumes of NOx and SOx.
cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline Specification
cis-2-Acetyl-3-phenyl-5-tosyl-3,3a,4,5-tetrahydropyrazolo(4,3-c)quinoline , its cas register number is 76298-68-5. It also can be called BRN 4605228 . Its classification code is Drug / Therapeutic Agent and Reproductive Effect.
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