chempirical

1-Ethyl-2-iodobenzene

C8H9ICAS 18282-40-1232.06 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
220–221 °C
logP
2.85Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
18282-40-1
SMILES
CCc1ccccc1I
InChIKey
ZEJZDNMOGNUIHL-UHFFFAOYSA-N
InChI
InChI=1S/C8H9I/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-ethyl-2-iodo-
  • o-Ethyliodobenzene
  • 1-Iodo-2-ethylbenzene
  • 2-Ethyliodobenzene

Work with 1-Ethyl-2-iodobenzene

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

1,2-Diethylbenzene135-01-362 % similar 1-Ethyl-2-methylbenzene611-14-356 % similar 2-Iodobenzyl alcohol5159-41-154 % similar 2-Iodobenzyl chloride59473-45-954 % similar 4-Bromo-2-ethyl-1-iodobenzene175278-30-550 % similar 1-Bromo-2-ethylbenzene1973-22-450 % similar 2-Ethylbenzenethiol4500-58-748 % similar 2-Ethylaniline578-54-148 % 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-4-iodobenzene25309-64-2 1-Iodo-2,3-dimethylbenzene31599-60-7 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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