CAS 7681-65-4|copper(1+) iodide|CUPROUS IODIDE|$l^{1}-copper(1+) ion iodide|Copper(I) iodide|碘化亚铜(I)|λ<sup>1</sup>-copper(1+) ion iodide|λ<sup>1</sup>-copper(1+) ion iodide|Copper(I) iodide, P...

General Information

Structure

Molecular Formula

CuI

Molecular Mass

190.45047

Exact Mass

189.8340705

Charge

InChI

InChI=1S/Cu.HI/h;1H/q+1;/p-1

InChIKey

LSXDOTMGLUJQCM-UHFFFAOYSA-M

Canonic Smiles

[Cu+].[I-]

Isomeric Smiles

[Cu+].[I-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.156

LogD (pH = 7.4)

0.156

Log P

0.156

Molar Refractivity

0.0

Polarizability

3.5074239

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Acid pKa

3.09

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

copper(1+) iodide λ¹-copper(1+) ion iodide

Synonyms

CUPROUS IODIDECopper(I) iodide碘化亚铜(I)Copper(I) iodide, Puratronic®碘化铜(I), Puratronic®

IUPAC name

$l^{1}-copper(1+) ion iodide λ¹-copper(1+) ion iodide

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem CID

PubChem SID

Merck Index

MDL Number

Registration numbers

Properties

Product Information

Certificate of Analysis

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Purity

98%

99.998% (metals basis)

Physical Property

Density

5.63

Melting Point

605°C

Refractive Index

2.346

Boiling Point

ca 1290°C

Apperance

Powder

Chunks/powder

Insoluble in water, dilute acids, alcohol. Decomposes by conc. acids. Soluble in NH3 solution, iodides, thiosulfates

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

MP Biomedicals

05213940

MP Biomedicals Rare Chemical collection

Molecule Details

References

PubChem Literature

From Data Sources

• Precursor of organocopper reagents. Forms a 1:1-complex with triethyl phosphite, useful in the preparation of unsymmetrical biaryls by a room-temperature Ullmann-type coupling reaction: J. Am. Chem. Soc., 98, 8282 (1976); Tetrahedron Lett., 2767 (1978). For list of examples, see: Org. Synth. Coll., 8, 586 (1993).

• Has been used in an improved Ullmann synthesis of diaryl ethers with ultrasound activation: J. Chem. Soc., Perkin 1, 407 (1992), and also as a catalyst for the arylation of active methylene compounds: Synthesis, 67 (1983); J. Org. Chem., 58, 7606 (1993).

• The formation of Cu(I) acetylides from terminal acetylenes, and their coupling with aryl or vinyl iodides, known as the Castro-Stephens reaction: J. Org. Chem., 28, 3313 (1963), is more often now carried out in situ with a Pd catalyst (the Sonogashira coupling), e.g. with trans-Dichlorobis(triphenylphosphine)palladium(II), 10491: Tetrahedron Lett., 4467 (1975); J. Org. Chem., 63, 8551 (1998), or Tetrakis(triphenylphosphine)palladium(0), 10548: Tetrahedron Lett., 30, 6997 (1989); Org. Synth. Coll., 9, 117 (1998); Synlett, 1387 (1998).

References

Bioactivity

PubChem BioAssay

Bioactivity