CAS 352-34-1|benzene, 1-fluoro-4-iodo-|1-fluoro-4-iodobenzene|4-Fluoroiodobenzene 99%|1-Fluoro-4-iodobenzene|4-Fluoroiodobenzene|对氟碘苯|p-FLUOROIODOBENZENE|4-Fluoroiodobenzene|4-Fluoroiodobenzene|...

General Information

Structure

Molecular Formula

C₆H₄FI

Molecular Mass

221.9988332

Exact Mass

221.93417635

Charge

InChI

InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H

InChIKey

KGNQDBQYEBMPFZ-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)I

Isomeric Smiles

Fc1ccc(cc1)I

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0448923

LogD (pH = 7.4)

3.0448923

Log P

3.0448923

Molar Refractivity

39.6369

Polarizability

15.323858

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

benzene, 1-fluoro-4-iodo-

IUPAC name

1-fluoro-4-iodobenzene

Synonyms

4-Fluoroiodobenzene 99%1-Fluoro-4-iodobenzene对氟碘苯4-Fluoroiodobenzenep-FLUOROIODOBENZENE4-Fluoroiodobenzene4-Fluoroiodobenzene1-氟-4-碘苯1-Fluoro-4-iodobenzene

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

EC Number

Beilstein Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC3780

Tet. Lett., 33 7499 (1992): Using LDA regioselective metallation can be achieved ortho- to the fluorine atom.J.Med.Chem,40,717(1997):5-iodoanthranilic acid & deriv.

MP Biomedicals

05210196

MP Biomedicals Rare Chemical collection

Sigma Aldrich

219428

Packaging
5, 50 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Regioselective metallation can be accomplished with LDA ortho to the fluoro substituent: Tetrahedron Lett., 33, 7499 (1992). Subsequent carboxylation and F ^- displacement with an amine has been used to synthesize 5-iodoanthranilic acid derivatives: J. Med. Chem., 40, 717 (1997).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

benzene, 1-fluoro-4-iodo-

IUPAC name

1-fluoro-4-iodobenzene

Synonyms

4-Fluoroiodobenzene 99%1-Fluoro-4-iodobenzene对氟碘苯4-Fluoroiodobenzenep-FLUOROIODOBENZENE4-Fluoroiodobenzene4-Fluoroiodobenzene1-氟-4-碘苯1-Fluoro-4-iodobenzene

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

EC Number

Beilstein Number

Molecule Details

PC3780

Tet. Lett., 33 7499 (1992): Using LDA regioselective metallation can be achieved ortho- to the fluorine atom.J.Med.Chem,40,717(1997):5-iodoanthranilic acid & deriv.

MP Biomedicals

05210196

MP Biomedicals Rare Chemical collection

Sigma Aldrich

219428

Packaging
5, 50 g in glass bottle

References

PubChem Literature

From Data Sources

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:7499