chempirical

2,6-Diiodo-4-nitrobenzenamine

C6H4I2N2O2CAS 5398-27-6389.92 g/mol

Open in Covalent MOL file
H2NIN+OO−I
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H4I2N2O2
Molar mass
389.92 g/mol
Exact mass
389.8362 Da
Melting point
245 °C
logP
2.39Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5398-27-6
SMILES
Nc1c(I)cc([N+](=O)[O-])cc1I
InChIKey
YPVYMWQYENWFAT-UHFFFAOYSA-N
InChI
InChI=1S/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2

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Names and synonyms

7 names
  • Benzenamine, 2,6-diiodo-4-nitro-
  • Aniline, 2,6-diiodo-4-nitro-
  • 2,6-Diiodo-4-nitroaniline
  • 4-Nitro-2,6-diiodoaniline
  • 2,6-Diiodo-p-nitroaniline
  • NSC 4606
  • 2,6-Diiodo-4-nitro-phenylamine

Reactions

Work with 2,6-Diiodo-4-nitrobenzenamine

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-Diiodo-4-nitrophenol305-85-161 % similar 2,4,6-Trinitroaniline489-98-560 % similar 2,6-Dibromo-4-nitroaniline827-94-156 % similar 2,6-Dichloro-4-nitroaniline99-30-956 % similar 3,5-Dinitroaniline618-87-153 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-853 % similar 2-Bromo-6-methyl-4-nitroaniline102170-56-951 % similar 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-651 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook