1-Tert-Butyl-2,3,5-Trichloro-4-Methylbenzene

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13Cl3
IUPAC Name 1-tert-butyl-2,3,5-trichloro-4-methyl-benzene
Molecular Mass 251.580 g·mol−1
Heat of Formation -154.4 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 274.51 Å 3
Surface Area 242.9 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,6-trichloro-4-tert-butyltoluene
  • 2,3,6-ttbt
  • benzene, 1,3,4-trichloro-5-(1,1-dimethylethyl)-2-methyl-
CAS Number(s)
  • 61468-36-8
InChIKey NXRBRXDRSZQRQH-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl