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Merck
CN

57740

Iodobenzene

puriss., ≥99.0% (GC)

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About This Item

Empirical Formula (Hill Notation):
C6H5I
CAS Number:
Molecular Weight:
204.01
EC Number:
209-719-6
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1446140
MDL number:
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InChI key

SNHMUERNLJLMHN-UHFFFAOYSA-N

InChI

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

SMILES string

Ic1ccccc1

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.)

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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
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
A triple-aldol cascade reaction for the rapid assembly of polyketides.
Brian J Albert et al.
Angewandte Chemie (International ed. in English), 49(15), 2747-2749 (2010-03-17)
Aleksandra A Zagulyaeva et al.
Organic letters, 12(20), 4644-4647 (2010-09-17)
Alkylcarboxamides can be converted to the respective amines by Hofmann rearrangement using hypervalent iodine species generated in situ from PhI and Oxone in aqueous acetonitrile. On the basis of this reaction, a convenient experimental procedure for the preparation of alkylcarbamates

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