chempirical

2-Chloro-4-iodo-1-methylbenzene

C7H6ClICAS 83846-48-4252.48 g/mol

Open in Covalent MOL file
ICl
Aryl halide

Properties

Molecular formula
C7H6ClI
Molar mass
252.48 g/mol
Exact mass
251.9203 Da
Melting point
22 °C
Boiling point
123–124 °C (at 20 Torr)
logP
3.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
83846-48-4
SMILES
Cc1ccc(I)cc1Cl
InChIKey
PJYASWQMTNNSSL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 2-chloro-4-iodo-1-methyl-
  • Toluene, 2-chloro-4-iodo-
  • 2-Chloro-4-iodotoluene
  • 1-Chloro-5-iodo-2-methylbenzene

Work with 2-Chloro-4-iodo-1-methylbenzene

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

1,2-Dichloro-4-iodobenzene20555-91-363 % similar Chloro-P-xylene95-72-760 % similar 1-Iodo-3,4-dimethylbenzene31599-61-858 % similar 2,4-Dichlorotoluene95-73-858 % similar 2-Chloro-1-fluoro-4-iodobenzene156150-67-354 % similar 2-Chloro-4-iodobenzenamine42016-93-354 % similar 2-Chloro-4-fluoro-1-methylbenzene452-73-354 % similar 3-Chloro-4-methylphenol615-62-354 % similar

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

Same formula

1-Chloro-4-iodo-2-methylbenzene116632-41-8 2-Chloro-1-iodo-4-methylbenzene116632-42-9 2-Iodobenzyl chloride59473-45-9

Elsewhere

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