chempirical

1-Iodo-2,4-dimethylbenzene

C8H9ICAS 4214-28-2232.06 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C8H9I
Molar mass
232.06 g/mol
Exact mass
231.9749 Da
Melting point
70–80 °C
Boiling point
227–229 °C
logP
2.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
4214-28-2
SMILES
Cc1ccc(I)c(C)c1
InChIKey
BUNKQJAMHYKQIM-UHFFFAOYSA-N
InChI
InChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-iodo-2,4-dimethyl-
  • m-Xylene, 4-iodo-
  • 2,4-Dimethyliodobenzene
  • 1,3-Dimethyl-4-iodobenzene
  • 4-Iodo-1,3-dimethylbenzene
  • 4-Iodo-m-xylene
  • NSC 3780
  • 2,4-Dimethylphenyl iodide

Work with 1-Iodo-2,4-dimethylbenzene

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

2-Chloro-1-iodo-4-methylbenzene116632-42-960 % similar 1,2,4-Trimethylbenzene95-63-659 % similar 2-Iodo-5-methylbenzenamine13194-69-958 % similar 2-Fluoro-1-iodo-4-methylbenzene452-79-958 % similar 2,4-Dimethylbenzenethiol13616-82-556 % similar 5-Bromo-2-iodotoluene116632-39-454 % similar 4-Fluoro-1-iodo-2-methylbenzene66256-28-854 % similar 2-Iodo-4-methylphenol16188-57-152 % similar

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

Same formula

2-Iodo-1,4-dimethylbenzene1122-42-5 Phenethyl iodide17376-04-4 1-Ethyl-2-iodobenzene18282-40-1 1-Ethyl-4-iodobenzene25309-64-2 1-Iodo-2,3-dimethylbenzene31599-60-7 1-Iodo-3,4-dimethylbenzene31599-61-8 2-Iodo-1,3-dimethylbenzene608-28-6

Elsewhere

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