chempirical

6-Chloro-2,4-dinitroaniline

C6H4ClN3O4CAS 3531-19-9217.56 g/mol

Open in Covalent MOL file
H2NClN+OO−N+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H4ClN3O4
Molar mass
217.56 g/mol
Exact mass
216.9890 Da
Melting point
157 °C
logP
1.74Crippen estimate
Polar surface area
112.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
3531-19-9
SMILES
Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
LHRIICYSGQGXSX-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenamine, 2-chloro-4,6-dinitro-
  • Aniline, 2-chloro-4,6-dinitro-
  • 2-Chloro-4,6-dinitrobenzenamine
  • 2-Chloro-4,6-dinitroaniline
  • 2,4-Dinitro-6-chloroaniline

Work with 6-Chloro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichloro-4-nitroaniline99-30-980 % similar 2,4,6-Trinitroaniline489-98-573 % similar 2,4-Dichloro-6-nitroaniline2683-43-471 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-669 % similar 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-667 % similar 2-Chloro-6-nitrobenzenamine769-11-965 % similar 2-Chloro-4,6-dinitrophenol946-31-663 % similar 2-Amino-3-chloro-5-nitrobenzonitrile20352-84-562 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook