1-Iodo-4-nitrobenzene

C6H4INO2CAS 636-98-6249.01 g/mol

Open in Covalent MOL file
ON+O−I
Aryl halideNitro

Properties

Molecular formula
C6H4INO2
Molar mass
249.01 g/mol
Exact mass
248.9287 Da
Melting point
174.7 °C
Boiling point
288 °C
logP
2.20Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
636-98-6
SMILES
O=[N+]([O-])c1ccc(I)cc1
InChIKey
SCCCFNJTCDSLCY-UHFFFAOYSA-N
InChI
InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

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Names and synonyms

11 names
  • Benzene, 1-iodo-4-nitro-
  • p-Iodonitrobenzene
  • p-Nitrophenyl iodide
  • 4-Iodonitrobenzene
  • p-Nitroiodobenzene
  • 4-Nitroiodobenzene
  • 4-Nitrophenyl iodide
  • 4-Iodo-1-nitrobenzene
  • 4-Nitro-1-iodobenzene
  • NSC 9794
  • 1-Nitro-4-iodobenzene

Work with 1-Iodo-4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Iodo-4'-nitro-1,1'-biphenyl29170-08-988 % similar 1,4-Dinitrobenzene100-25-471 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-163 % similar 1-Iodo-3,5-dinitrobenzene6276-04-662 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-158 % similar Nitrobenzene98-95-356 % similar 4-Nitrochlorobenzene100-00-556 % similar 4-Nitroaniline100-01-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodopyridine-2-carboxylic acid405939-79-9 2-Iodo-isonicotinic acid58481-10-0 1-Iodo-2-nitrobenzene609-73-4 1-Iodo-3-nitrobenzene645-00-1

Elsewhere

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