CAS 533-58-4|2-iodophenol|2-iodophenol|2-Iodophenol|2-Iodophenol 98%|1-Hydroxy-2-iodobenzene|o-IODOPHENOL|o-Iodophenol|NSC 9245|2-Iodophenol|2-碘苯酚

General Information

Structure

Molecular Formula

C₆H₅IO

Molecular Mass

220.00777

Exact Mass

219.93851278

Charge

InChI

InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H

InChIKey

KQDJTBPASNJQFQ-UHFFFAOYSA-N

Canonic Smiles

Oc1ccccc1I

Isomeric Smiles

c1ccc(c(c1)O)I

Calculated Properties

JChem

Acid pKa

8.405583

H Acceptors

H Donor

LogD (pH = 5.5)

2.5980892

LogD (pH = 7.4)

2.5580194

Log P

2.598625

Molar Refractivity

41.4014

Polarizability

16.159039

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-iodophenol

IUPAC name

2-iodophenol

Synonyms

2-Iodophenol2-Iodophenol 98%1-Hydroxy-2-iodobenzeneo-IODOPHENOLo-IodophenolNSC 92452-Iodophenol2-碘苯酚

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

EC Number

Beilstein Number

PubChem CID

Merck Index

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05212503

MP Biomedicals Rare Chemical collection

Sigma Aldrich

281409

Packaging
5, 25 g in glass bottle

TRC

I717500

2-Iodophenol is a halophenol with antifungal activity. 2-Iodophenol is used as a catalyst in the synthesis of 1,3,5-substituted benzenes. 2-Iodophenol is also used as additive tracers for resist plasma etching.

Molecule Details

References

PubChem Literature

From Data Sources

• Gershon, H. et al.: Monatsch. CHem., 126, 1161 (1995)

• Xu, Y.-L. et al.: J. Org. Chem., 76, 8472 (1995)

• Cheaib, M. et al.: J. Vac. Sci. Technol B Microelec. Nano. Stuc., 9, 273 (1995)

• Coupling with phenylacetylene in the presence of a Pd complex and CuI gives 2-phenylbenzofuran in good yield: Synlett, 515 (1992); J. Chem. Soc., Perkin 1, 2815 (1997):

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

2-iodophenol

IUPAC name

2-iodophenol

Synonyms

2-Iodophenol2-Iodophenol 98%1-Hydroxy-2-iodobenzeneo-IODOPHENOLo-IodophenolNSC 92452-Iodophenol2-碘苯酚

Registration numbers

MDL Number

CAS Number

PubChem SID

EC Number

Beilstein Number

PubChem CID

Merck Index

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

281409

Packaging
5, 25 g in glass bottle

TRC

I717500

References

PubChem Literature

From Data Sources

• Gershon, H. et al.: Monatsch. CHem., 126, 1161 (1995)

• Xu, Y.-L. et al.: J. Org. Chem., 76, 8472 (1995)

• Cheaib, M. et al.: J. Vac. Sci. Technol B Microelec. Nano. Stuc., 9, 273 (1995)

• Coupling with phenylacetylene in the presence of a Pd complex and CuI gives 2-phenylbenzofuran in good yield: Synlett, 515 (1992); J. Chem. Soc., Perkin 1, 2815 (1997):

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:11734