chempirical

1-Iodo-3,4-dimethylbenzene

C8H9ICAS 31599-61-8232.06 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
228–235 °C
Boiling point
225 °C
logP
2.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
31599-61-8
SMILES
Cc1ccc(I)cc1C
InChIKey
CSFRCLYFVINMBZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 4-iodo-1,2-dimethyl-
  • o-Xylene, 4-iodo-
  • 4-Iodo-1,2-dimethylbenzene
  • 4-Iodo-o-xylene
  • 1,2-Dimethyl-4-iodobenzene
  • 3,4-Dimethyliodobenzene
  • 3,4-Dimethylphenyl iodide

Work with 1-Iodo-3,4-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

1-Chloro-4-iodo-2-methylbenzene116632-41-858 % similar 4-Iodo-2-methylaniline13194-68-858 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-758 % similar 1-Fluoro-4-iodo-2-methylbenzene452-68-658 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-458 % similar 5-Iodo-2-methylaniline83863-33-658 % similar 1,2,4-Trimethylbenzene95-63-650 % similar 4-Iodo-2-nitrotoluene41252-97-547 % 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-2,4-dimethylbenzene4214-28-2 2-Iodo-1,3-dimethylbenzene608-28-6

Elsewhere

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