N-(2-Bromoethyl)-3-(2,6-Dichlorophenyl)-5-Methyl-1,2-Oxazole-4-Carboxamide
[CAS 218456-06-5]

Identification

• Name: N-(2-Bromoethyl)-3-(2,6-Dichlorophenyl)-5-Methyl-1,2-Oxazole-4-Carboxamide
• Synonyms: 4-ISOXAZOLECARBOXAMIDE,N-(2-BROMOETHYL)-3-(2,6-DICHLOROPHENYL)-5-METHYL-; N4-(2-BROMOETHYL)-3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXAMIDE; MFCD00275589
• Molecular Formula: C₁₃H₁₁BrCl₂N₂O₂
• Molecular Weight: 378.05
• CAS Registry Number: 218456-06-5
• SMILES: BrCCNC(=O)c2c(onc2c1c(Cl)cccc1Cl)C
• InChI: 1S/C13H11BrCl2N2O2/c1-7-10(13(19)17-6-5-14)12(18-20-7)11-8(15)3-2-4-9(11)16/h2-4H,5-6H2,1H3,(H,17,19)
• InChIKey: LDDFVSYSSXXNKH-UHFFFAOYSA-N

Properties

• Density: 1.569g/cm³ (Cal.)
• Boiling point: 465.596°C at 760 mmHg (Cal.)
• Flash point: 235.384°C (Cal.)
• Refractive index: 1.595 (Cal.)

References

• (1): S. S. Golotvin, E. Vodopianov, R. Pol, B. A. Lefebvre, A. J. Williams, R. D. Rutkowske and T. D. Spitzer. Automated structure verification based on a combination of 1D 1H NMR and 2D 1H–13C HSQC spectra, Magn. Reson. Chem. 2007, 45, 803–813