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Cas Database |
| Name |
Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone |
EINECS | N/A |
| CAS No. | 15154-19-5 | Density | 1.363g/cm3 |
| PSA | 102.06000 | LogP | 2.87700 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H8 N2 O5 | Boiling Point | 411.5°Cat760mmHg |
| Molecular Weight | 236.184 | Flash Point | 202.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ketone,methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl (8CI);4-Acetyl-5-methyl-3-(5-nitro-2-furyl)isoxazole |
Article Data | 4 |
Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone Chemical Properties
Molecule structure of Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone (CAS NO.15154-19-5) :
IUPAC Name: 1-[5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazol-4-yl]ethanone
Molecular Weight: 236.18092 g/mol
Molecular Formula: C10H8N2O5
Density: 1.363 g/cm3
Boiling Point: 411.5 °C at 760 mmHg
Flash Point: 202.7 °C
Index of Refraction: 1.547
Molar Refractivity: 54.93 cm3
Molar Volume: 173.1 cm3
Polarizability: 21.77×10-24 cm3
Surface Tension: 50.2 dyne/cm
Enthalpy of Vaporization: 66.4 kJ/mol
Vapour Pressure: 5.57E-07 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 236.043321
MonoIsotopic Mass: 236.043321
Topological Polar Surface Area: 99.4
Heavy Atom Count: 17
Complexity: 329
Canonical SMILES: CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)C
InChI: InChI=1S/C10H8N2O5/c1-5(13)9-6(2)17-11-10(9)7-3-4-8(16-7)12(14)15/h3-4H,1-2H3
InChIKey of Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone (CAS NO.15154-19-5) : NMGLBZPNXPRERV-UHFFFAOYSA-N
Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone Toxicity Data With Reference
| 1. | pic-esc 10 µg/L | JMCMAR Journal of Medicinal Chemistry. 12 (1969),611. |
Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone Safety Profile
Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone Specification
Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone (CAS NO.15154-19-5) is also called BRN 0618013 ; Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl .
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