1,3,5-Tris(3-Isocyanato-4-Methylphenyl)-1,3,5-Triazinane-2,4,6-Trione

Molecule SVG Image

Properties Simple | Detailed

Formula C27H18N6O6
IUPAC Name 1,3,5-tris(3-isocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione
Molecular Mass 522.468 g·mol−1
Heat of Formation -467.6 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 575.04 Å 3
Surface Area 506.45 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4,6-trioxotriazine-1,3,5(2h,4h,6h)-triyl)tris(methyl-m-phenylene) isocyanate
  • 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(3-isocyanatomethylphenyl)-
  • 1,3,5-tris(3-isocyanato-4-methyl-phenyl)-1,3,5-triazinane-2,4,6-trione
CAS Number(s)
  • 107547-74-0
  • 26603-40-7
  • 76483-87-9
InChIKey NEQZCEZVSYQHDT-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N