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57740

Sigma-Aldrich

Iodobenzene

puriss., ≥99.0% (GC)

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About This Item

Empirical Formula (Hill Notation):
C6H5I
CAS Number:
591-50-4
Molecular Weight:
204.01
Beilstein:
1446140
EC Number:
209-719-6
MDL number:
MFCD00001029
UNSPSC Code:
12352100
PubChem Substance ID:
329758352

grade

puriss.

Assay

≥99.0% (GC)

contains

silver wool as stabilizer

refractive index

n20/D 1.62 (lit.)
n20/D 1.620

bp

188 °C (lit.)

mp

−29 °C (lit.)

density

1.830 g/mL at 20 °C
1.823 g/mL at 25 °C (lit.)

SMILES string

Ic1ccccc1

InChI

1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H

InChI key

SNHMUERNLJLMHN-UHFFFAOYSA-N

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Product No.
Description
Pricing

I7632

Iodobenzene, 98%

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Gavin O Jones et al.
Journal of the American Chemical Society, 132(17), 6205-6213 (2010-04-15)
Computational investigations of ligand-directed selectivities in Ullmann-type coupling reactions of methanol and methylamine with iodobenzene by beta-diketone- and 1,10-phenanthroline-ligated Cu(I) complexes are reported. Density functional theory calculations using several functionals were performed on both the nucleophile formation and aryl halide
Linhai Jing et al.
Chemical communications (Cambridge, England), 46(26), 4767-4769 (2010-05-22)
Direct hydroxylation of a wide scope of aryl halides was catalyzed by a combination of CuI and lithium pipecolinate in water with yields up to 92%.
Minfeng Zeng et al.
The Journal of organic chemistry, 75(8), 2556-2563 (2010-03-23)
Palladium-catalyzed reductive homocoupling of aromatic halides can be performed in alcohol solutions without any auxiliary reducing reagents. Pd(dppf)Cl(2) [dppf = 1,1'-bis(diphenylphosphino)ferrocene] has been shown as the most effective catalyst among the palladium catalysts screened for the model reductive homocoupling of
A universal approach to the synthesis of noble metal nanodendrites and their catalytic properties.
Ashok Mohanty et al.
Angewandte Chemie (International ed. in English), 49(29), 4962-4966 (2010-06-12)
Rainer Wilcken et al.
Journal of computer-aided molecular design, 26(8), 935-945 (2012-08-07)
Halogen bonds are specific embodiments of the sigma hole bonding paradigm. They represent directional interactions between the halogens chlorine, bromine, or iodine and an electron donor as binding partner. Using quantum chemical calculations at the MP2 level, we systematically explore
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