chempirical

1-Ethyl-4-iodobenzene

C8H9ICAS 25309-64-2232.06 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
Density
1.6095 g/mL (at 16 °C)
Melting point
−11 °C
Boiling point
230 °C
logP
2.85Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
25309-64-2
SMILES
CCc1ccc(I)cc1
InChIKey
OOLSRHZMXAYDFB-UHFFFAOYSA-N
InChI
InChI=1S/C8H9I/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-ethyl-4-iodo-
  • p-Ethyliodobenzene
  • p-Iodoethylbenzene
  • 4-Ethylphenyl iodide
  • 4-Ethyliodobenzene
  • 4-Iodo-1-ethylbenzene
  • 4-Ethyl-1-iodobenzene
  • 1-Iodo-4-ethylbenzene

Work with 1-Ethyl-4-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

1,4-Diethylbenzene105-05-567 % similar 1-Iodo-4-pentylbenzene85017-60-354 % similar 4-Ethyltoluene622-96-852 % similar 4-Ethylphenol123-07-950 % similar 4-Ethylbenzyl chloride1467-05-650 % similar 1-Bromo-4-ethylbenzene1585-07-550 % similar 4-Iodobenzyl bromide16004-15-250 % similar 4-Iodobenzyl alcohol18282-51-450 % 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-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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