chempirical

1-Iodo-2,3-dimethylbenzene

C8H9ICAS 31599-60-7232.06 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
Boiling point
80–82 °C (at 2 Torr)
logP
2.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
31599-60-7
SMILES
Cc1cccc(I)c1C
InChIKey
DANMWBNOPFBJSZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9I/c1-6-4-3-5-8(9)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, 1-iodo-2,3-dimethyl-
  • o-Xylene, 3-iodo-
  • 3-Iodo-o-xylene
  • 1,2-Dimethyl-3-iodobenzene
  • 3-Iodo-1,2-dimethylbenzene
  • 2,3-Dimethyl-1-iodobenzene
  • 2,3-Dimethyliodobenzene

Work with 1-Iodo-2,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Iodotoluene615-37-259 % similar 1-Fluoro-3-iodo-2-methylbenzene443-85-658 % similar 1-Bromo-2,3-dimethylbenzene576-23-852 % similar 1-Chloro-2,3-dimethylbenzene608-23-152 % similar 2,3-Xylidine87-59-252 % similar Dimethylphenol1300-71-650 % similar 3-Fluoro-O-xylene443-82-350 % similar 2,3-Dimethylphenol526-75-050 % 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-3,4-dimethylbenzene31599-61-8 1-Iodo-2,4-dimethylbenzene4214-28-2 2-Iodo-1,3-dimethylbenzene608-28-6

Elsewhere

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