Nitralin

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Properties Simple | Detailed

Formula C13H19N3O6S
IUPAC Name 4-methylsulfonyl-2,6-dinitro-n,n-dipropyl-aniline
Molecular Mass 345.371 g·mol−1
Heat of Formation -340.8 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 383.27 Å 3
Surface Area 326.92 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • (4-mesyl-2,6-dinitro-phenyl)-dipropyl-amine
  • 2,6-dinitro-4-methylsulfonyl-n,n-dipropylaniline
  • 2,6-dinitro-n,n-dipropyl-4-(methylsulfonyl)benzenamine
  • 4-(methylsulfonyl)-2,6-dinitro-n,n-dipropylaniline
  • 4-(methylsulfonyl)-2,6-dinitro-n,n-dipropylbenzenamine
  • 4-(methylsulfonyl)-2,6-dinitro-n,n-dipropylbenzeneamine
  • 4-methylsulfonyl-2,6-dinitro-n,n-dipropyl-aniline
  • 4-methylsulfonyl-2,6-dinitro-n,n-dipropylaniline
  • 4-methylsulphonyl-2,6-dinitro-n,n-dipropylaniline
  • aniline, 2,6-dinitro-n,n-dipropyl-4-(methylsulfonyl)-
  • aniline, 4-(methylsulfonyl)-2,6-dinitro-n,n-dipropyl-
  • aniline, 4-(methylsulfonyl)-2,6-dinitro-n,n-dipropyl- (7ci,8ci)
  • benzenamine, 2,6-dinitro-n,n-dipropyl-4-(methylsulfonlyl)-
  • benzenamine, 4-(methylsulfonyl)-2,6-dinitro-n,n-dipropyl-
  • caswell no. 578
  • epa pesticide chemical code 037601
  • niralin
  • nitralin [bsi:iso]
  • nitraline
  • planavin
  • planavin 75
  • planuin
  • sd 11831
CAS Number(s)
  • 4726-14-1
InChIKey UMKANAFDOQQUKE-UHFFFAOYSA-N
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