N-(3-Chloro-4-(Trifluoromethyl)Phenyl)-3,5-Dinitro-2-Thiophenamine

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Properties Simple | Detailed

Formula C11H5ClF3N3O4S
IUPAC Name n-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dinitro-thiophen-2-amine
Molecular Mass 367.688 g·mol−1
Heat of Formation -523.7 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 339.3 Å 3
Surface Area 306.68 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-chloro-4-trifluoromethyl)anilino-3,5-dinitrothiophene
  • [3-chloro-4-(trifluoromethyl)phenyl]-(3,5-dinitro-2-thienyl)amine
  • ant 2p
  • n-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dinitro-2-thiophenamine
  • n-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dinitro-thiophen-2-amine
CAS Number(s)
  • 30514-93-3
InChIKey XBELGXHGZAHGDG-UHFFFAOYSA-N
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