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| CAS No.: | 17960-21-3 |
|---|---|
| Name: | 1-[3-(5-nitrofuran-2-yl)-5-phenyl-1,2-oxazol-4-yl]ethanone |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C15H10 N2 O5 |
| Molecular Weight: | 298.255 |
| Synonyms: | Ketone,methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl (8CI);4-Acetyl-3-(5-nitro-2-furyl)-5-phenylisoxazole |
| Density: | 1.342g/cm3 |
| Boiling Point: | 513.7°C at 760 mmHg |
| Flash Point: | 264.5°C |
| Safety: | Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx. |
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Chemistry
IUPAC Name: 1-[3-(5-Nitrofuran-2-yl)-5-phenyl-1,2-oxazol-4-yl]ethanone
Following is the structure of Methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl ketone (CAS NO.17960-21-3):
Empirical Formula: C15H10N2O5
Molecular Weight: 298.2503 g/mol
Surface Tension: 52 dyne/cm
Density: 1.342 g/cm3
Flash Point: 264.5 °C
Enthalpy of Vaporization: 78.51 kJ/mol
Boiling Point: 513.7 °C at 760 mmHg
Vapour Pressure: 1.16E-10 mmHg at 25 °C
Index of Refraction of Methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl ketone (CAS NO.17960-21-3): 1.587
Canonical SMILES: CC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C15H10N2O5/c1-9(18)13-14(11-7-8-12(21-11)17(19)20)16-22-15(13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey: KLYYANDIYRHSRO-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | pic-esc 600 µg/L | JMCMAR Journal of Medicinal Chemistry. 12 (1969),611. |
Safety Profile
Mutation data reported. A flammable liquid. When heated to decomposition, Methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl ketone (CAS NO.17960-21-3) emits toxic vapors of NOx.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
Methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl ketone , its cas register number is 17960-21-3. It also can be called Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl . Its classification code is Mutation data.