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Cas Database |
| Name |
Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone |
EINECS | N/A |
| CAS No. | 21621-75-0 | Density | 1.22g/cm3 |
| PSA | 47.78000 | LogP | 2.93150 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H13N3O | Boiling Point | 450.2°Cat760mmHg |
| Molecular Weight | 251.288 | Flash Point | 226.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Acetyl-5-Methyl-1-(2-Quinolyl)-Pyrazol;METHYL 5-METHYL-1-(2-QUINOLYL)-4-PYRAZOLYL KETONE;1-(5-Methyl-1-quinolin-2-yl-1H-pyrazol-4-yl)-ethanone; |
Article Data | 3 |
Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone Chemical Properties
The Molecular Structure of Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone (CAS NO.21621-75-0):
Molecular Formula: C15H13N3O
Molecular Weight: 251.283220 g/mol
IUPAC: 1-(1-isoquinolin-3-yl-5-methylpyrazol-4-yl)ethanone
Density: 1.22 g/cm3
Flash Point: 226.1 °C
Enthalpy of Vaporization: 70.91 kJ/mol
Boiling Point: 450.2 °C at 760 mmHg
Vapour Pressure: 2.68E-08 mmHg at 25°C
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.76
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 5.5): 12.81
ACD/BCF (pH 7.4): 12.83
ACD/KOC (pH 5.5): 215.94
ACD/KOC (pH 7.4): 216.2
Polar Surface Area: 47.78Å2
Index of Refraction: 1.65
Molar Refractivity: 74.57 cm3
Molar Volume: 204.3 cm3
Surface Tension: 46.4 dyne/cm
Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone Toxicity Data With Reference
| 1. | ivn-cat LDLo:9 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 58 (1969),432. |
Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone Safety Profile
A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone Specification
Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone (CAS NO.21621-75-0) can also be called as 5-24-02-00150 (Beilstein Handbook Reference) ; BRN 0750954 ; Ketone, methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl .
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