chempirical

1-tert-Butyl-4-iodobenzene

C10H13ICAS 35779-04-5260.12 g/mol

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I
Aryl halide

Properties

Molecular formula
C10H13I
Molar mass
260.12 g/mol
Exact mass
260.0062 Da
Density
1.4392 g/mL (at 14 °C)
Boiling point
253–254 °C (at 160 Torr)
logP
3.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
35779-04-5
SMILES
CC(C)(C)c1ccc(I)cc1
InChIKey
WQVIVQDHNKQWTM-UHFFFAOYSA-N
InChI
InChI=1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

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Names and synonyms

12 names
  • Benzene, 1-(1,1-dimethylethyl)-4-iodo-
  • Benzene, 1-tert-butyl-4-iodo-
  • 1-(1,1-Dimethylethyl)-4-iodobenzene
  • p-Iodo-tert-butylbenzene
  • p-tert-Butylphenyl iodide
  • p-tert-Butyliodobenzene
  • 4-tert-Butylphenyl iodide
  • 4-tert-Butyliodobenzene
  • 4-tert-Butyl-1-iodobenzene
  • 4-Iodo-1-tert-butylbenzene
  • 1-Iodo-4-tert-butylbenzene
  • 4-t-Butyl-1-iodobenzene

Work with 1-tert-Butyl-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Di-tert-butylbenzene1012-72-267 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-857 % similar 4-tert-Butyltoluene98-51-152 % similar 4-tert-Butylthiophenol2396-68-150 % similar 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-350 % similar 1-Bromo-4-tert-butylbenzene3972-65-450 % similar 1-Iodo-4-(trifluoromethyl)benzene455-13-050 % similar 1,4-Diiodobenzene624-38-450 % similar

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

Same formula

3-Iodo-1,2,4,5-tetramethylbenzene2100-25-6 1-Iodo-2,3,4,5-tetramethylbenzene54509-71-6

Elsewhere

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