Ethyl 1-(2,4-Dichlorophenyl)-5-Trichloromethyl-1,2,4-Triazol-3-Carboxylate

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Properties Simple | Detailed

Formula C12H8Cl5N3O2
IUPAC Name ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate
Molecular Mass 403.476 g·mol−1
Heat of Formation -164.1 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 384.28 Å 3
Surface Area 333.91 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid ethyl ester
  • 1-(2,4-diclorofenil)-5-triclorometil-1,2,4-triazol-3-carboxilato de etilo [spanish]
  • 1-(2,4-diclorofenil)-5-triclorometil-1,2,4-triazole-3-carboxilato de etilo [portuguese]
  • 1h-1,2,4-triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester
  • ee4012905
  • ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1h-1,2,4-triazole-3-carboxylate
  • ethyl-1-(2,4-dichlorphenyl)-5-trichlormethyl-1,2,4-triazol-3-carboxylat [danish]
  • fenchlorazol-ethyl
  • fenchlorazole-et
  • fenchlorazole-ethyl
  • hoe 070542
  • hoe 70 542
CAS Number(s)
  • 103112-35-2
InChIKey GMBRUAIJEFRHFQ-UHFFFAOYSA-N
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Elements H C N O Cl