1-Iodo-2-methyl-4-nitrobenzene

C7H6INO2CAS 5326-38-5263.03 g/mol

Open in Covalent MOL file
N+OO−I
Aryl halideNitro

Properties

Molecular formula
C7H6INO2
Molar mass
263.03 g/mol
Exact mass
262.9443 Da
Melting point
100–103 °C
logP
2.51Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
5326-38-5
SMILES
Cc1cc([N+](=O)[O-])ccc1I
InChIKey
ARJHCXYRCLMLQN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6INO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1-iodo-2-methyl-4-nitro-
  • 2-Iodo-5-nitrotoluene
  • NSC 293
  • 6-Iodo-3-nitrotoluene
  • 2-Methyl-4-nitrophenyl iodide
  • 2-Methyl-4-nitro-1-iodobenzene

Work with 1-Iodo-2-methyl-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Iodo-1-methyl-4-nitrobenzene7745-92-874 % similar 4-Nitro-o-xylene99-51-470 % similar 2,4-Dinitroiodobenzene709-49-966 % similar 2-Methyl-4-nitrophenol99-53-664 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-962 % similar 3-Fluoro-4-iodonitrobenzene2996-30-762 % similar 2-Chloro-1-iodo-4-nitrobenzene41252-96-462 % similar 2-Fluoro-5-nitrotoluene455-88-962 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-2-methoxynicotinaldehyde158669-26-2 3-Iodoisonicotinic acid methyl ester188677-49-8 2-Amino-4-iodo-benzoic acid20776-54-9 2-Amino-3-iodobenzoic acid20776-55-0 4-Amino-3-iodobenzoic acid2122-63-6 4-Iodo-2-nitrotoluene41252-97-5 4-Iodo-3-nitrotoluene5326-39-6 2-Amino-5-iodobenzoic acid5326-47-6

Elsewhere

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