chempirical

4-Nitro-3-(trifluoromethyl)aniline

C7H5F3N2O2CAS 393-11-3206.12 g/mol

Open in Covalent MOL file
H2NN+OO−FFF
Alkyl halideNitroPrimary amine

Properties

Molecular formula
C7H5F3N2O2
Molar mass
206.12 g/mol
Exact mass
206.0303 Da
Melting point
129 °C
logP
2.20Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
393-11-3
SMILES
Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIKey
UTKUVRNVYFTEHF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 4-nitro-3-(trifluoromethyl)-
  • m-Toluidine, α,α,α-trifluoro-4-nitro-
  • 4-Nitro-3-(trifluoromethyl)benzenamine
  • α,α,α-Trifluoro-4-nitro-m-toluidine
  • 3-Trifluoromethyl-4-nitroaniline
  • 5-Amino-2-nitrobenzotrifluoride
  • NSC 10323
  • (4-Nitro-3-trifluoromethylphenyl)amine
  • 3-Amino-6-nitrobenzotrifluoride

Work with 4-Nitro-3-(trifluoromethyl)aniline

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

4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-965 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-263 % similar Tfm (piscicide)88-30-263 % similar 3,4-Dinitroaniline610-41-362 % similar 3-Fluoro-4-nitrobenzenamine2369-13-359 % similar 2-Nitrobenzotrifluoride384-22-558 % similar 4-Nitro-M-phenylenediamine5131-58-858 % similar 4-Fluoro-3-nitroaniline364-76-155 % similar

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

Same formula

1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxamide116548-03-9 4-Nitro-2-(trifluoromethyl)aniline121-01-7 2-Nitro-4-(trifluoromethyl)aniline400-98-6 3-Nitro-5-(trifluoromethyl)benzenamine401-94-5

Elsewhere

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