chempirical

2,4-Dinitroaniline

C6H5N3O4CAS 97-02-9183.12 g/mol

Open in Covalent MOL file
H2NN+OO−N+OO−
NitroPrimary amine

Properties

Molecular formula
C6H5N3O4
Molar mass
183.12 g/mol
Exact mass
183.0280 Da
Density
1.615 g/mL (at 14 °C)
Melting point
187.5–188 °C
Boiling point
56.7 °C
logP
1.09Crippen estimate
Polar surface area
112.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
97-02-9
SMILES
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
LXQOQPGNCGEELI-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2

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Names and synonyms

6 names
  • Benzenamine, 2,4-dinitro-
  • Aniline, 2,4-dinitro-
  • 2,4-Dinitrobenzenamine
  • 1-Amino-2,4-dinitrobenzene
  • NSC 8731
  • Dinitroaniline

Reactions

Work with 2,4-Dinitroaniline

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

4-Nitro-1,2-phenylenediamine99-56-972 % similar Nitro-P-phenylenediamine5307-14-268 % similar 2-Amino-5-nitrophenol121-88-066 % similar 4-Fluoro-2-nitroaniline364-78-366 % similar 2-Chloro-4-nitroaniline121-87-964 % similar 2-Bromo-4-nitrobenzenamine13296-94-164 % similar 4-Iodo-2-nitrobenzenamine20691-72-964 % similar 2-Fluoro-4-nitrobenzenamine369-35-764 % similar

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

Same formula

2,6-Dinitroaniline606-22-4 3,4-Dinitroaniline610-41-3 3,5-Dinitroaniline618-87-1

Elsewhere

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