Product Name

  • Name

    1-[5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazol-4-yl]ethanone

  • EINECS
  • CAS No. 15154-19-5
  • Article Data4
  • CAS DataBase
  • Density 1.363g/cm3
  • Solubility
  • Melting Point
  • Formula C10H8 N2 O5
  • Boiling Point 411.5°Cat760mmHg
  • Molecular Weight 236.184
  • Flash Point 202.7°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 15154-19-5 (1-[5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazol-4-yl]ethanone)
  • Hazard Symbols
  • Synonyms Ketone,methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl (8CI);4-Acetyl-5-methyl-3-(5-nitro-2-furyl)isoxazole
  • PSA 102.06000
  • LogP 2.87700

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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