chempirical

1-Fluoro-2,4-dinitrobenzene

C6H3FN2O4CAS 70-34-8186.10 g/mol

Open in Covalent MOL file
ON+O−FN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H3FN2O4
Molar mass
186.10 g/mol
Exact mass
186.0077 Da
Density
1.4718 g/mL (at 54 °C)
Melting point
25.8 °C
Boiling point
296 °C
logP
1.64Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
70-34-8
SMILES
O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1
InChIKey
LOTKRQAVGJMPNV-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

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Names and synonyms

13 names · show all
  • Benzene, 1-fluoro-2,4-dinitro-
  • DFB
  • 2,4-Dinitrofluorobenzene
  • 2,4-Dinitro-1-fluorobenzene
  • DNFB
  • FDNB
  • Dinitrofluorobenzene
  • Fluorodinitrobenzene
  • 2,4-Dinitrobenzene fluoride
  • 2,4-Dinitrophenyl fluoride
  • 4-Fluoro-1,3-dinitrobenzene
  • NSC 33519
  • Sanger's reagent

Work with 1-Fluoro-2,4-dinitrobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Difluoronitrobenzene369-34-672 % similar 2,5-Difluoronitrobenzene364-74-970 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-664 % similar 3-Chloro-4-fluoronitrobenzene350-30-164 % similar 1-Fluoro-4-iodo-2-nitrobenzene364-75-064 % similar 4-Fluoro-3-nitroaniline364-76-164 % similar 2-Fluoro-5-nitrobenzenamine369-36-864 % similar 2-Fluoro-5-nitrotoluene455-88-964 % similar

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

Same formula

4-Fluoro-1,2-dinitrobenzene364-53-4

Elsewhere

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