1,2,3-Triiodo-5-nitrobenzene

C6H2I3NO2CAS 53663-23-3500.80 g/mol

Open in Covalent MOL file
IIIN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H2I3NO2
Molar mass
500.80 g/mol
Exact mass
500.7220 Da
logP
3.41Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
53663-23-3
SMILES
C1=C(C=C(C(=C1I)I)I)[N+](=O)[O-]
InChIKey
FQHFOGCNEKGMQX-UHFFFAOYSA-N
InChI
InChI=1S/C6H2I3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H

Weigh it out

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

Names and synonyms

3 names
  • 3,4,5-Trijodnitrobenzol
  • 1,2,3-Tri-iodo-5-nitrobenzene
  • 1,2,3-Triiodo-5-nitro-benzene

Reactions

Work with 1,2,3-Triiodo-5-nitrobenzene

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-nitrophenol305-85-166 % similar 2,6-Diiodo-4-nitrobenzenamine5398-27-666 % similar 1,3,5-Trinitrobenzene99-35-458 % similar 1-Iodo-3,5-dinitrobenzene6276-04-657 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-856 % similar 2-Iodo-4-nitroaniline6293-83-055 % similar 2,4-Dinitroiodobenzene709-49-953 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook