-
Name
1-[1-(isoquinolin-3-yl)-5-methyl-1H-pyrazol-4-yl]ethanone
- EINECS
- CAS No. 21621-75-0
- Article Data3
- CAS DataBase
- Density 1.22g/cm3
- Solubility
- Melting Point
- Formula C15H13N3O
- Boiling Point 450.2°Cat760mmHg
- Molecular Weight 251.288
- Flash Point 226.1°C
- Transport Information
- Appearance
- Safety A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 47.78000
- LogP 2.93150
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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