chempirical

Trifluralin

C13H16F3N3O4CAS 1582-09-8335.28 g/mol

Open in Covalent MOL file
NN+OO−FFFN+OO−
Alkyl halideNitroTertiary amine

Properties

Molecular formula
C13H16F3N3O4
Molar mass
335.28 g/mol
Exact mass
335.1093 Da
Density
1.36 g/mL (at 22 °C)
Melting point
46–47 °C
Boiling point
139–140 °C (at 4.2 Torr)
logP
4.15Crippen estimate
Polar surface area
89.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Identifiers

CAS number
1582-09-8
SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey
ZSDSQXJSNMTJDA-UHFFFAOYSA-N
InChI
InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

44 names · show all
  • Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-
  • p-Toluidine, α,α,α-trifluoro-2,6-dinitro-N,N-dipropyl-
  • 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine
  • L 36352
  • Lilly 36,352
  • 2,6-Dinitro-N,N-di-n-propyl-α,α,α-trifluoro-p-toluidine
  • 4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene
  • N,N-Di-n-propyl-2,6-dinitro-4-trifluoromethylaniline
  • N,N-Dipropyl-4-trifluoromethyl-2,6-dinitroaniline
  • Treflan
  • α,α,α-Trifluoro-2,6-dinitro-N,N-di-n-propyl-p-toluidine
  • α,α,α-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine
  • Trifluraline
  • 2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline
  • 4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline
  • 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
  • Agriflan 24
  • Olitref
  • Nitran
  • Elancolan
  • Trikepin
  • Agriflan
  • Trefanocide
  • Trifloran
  • N,N-Dipropyl-2,6-dinitro-4-(trifluoromethyl)aniline
  • Synfloran
  • Nitran K
  • Tristar
  • Super-treflan
  • Biobarrier
  • Triflurom
  • Triflurotox
  • Brassix
  • Treflan 4E
  • Trifsan
  • Premerlin
  • Zeltoxone
  • Tefralin
  • Trilan
  • Trilan (fungicide)
  • Bayonet
  • Trilin
  • Triflurex
  • (2,6-Dinitro-4-trifluoromethyl-phenyl)-dipropyl-amine

Work with Trifluralin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Prodiamine29091-21-263 % similar Oryzalin19044-88-357 % similar Flumetralin62924-70-354 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-952 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-152 % similar 3,4-Difluoro-5-nitrobenzotrifluoride101646-01-949 % similar 3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-048 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benfluralin1861-40-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia