CAS 304-91-6|Iodosyl benzoic acid|o-iodosobenzoic acid|2-iodosylbenzoic acid|2-Iodosobenzoic acid|o-IODOSOBENZOIC ACID|2-Iodosobenzoic acid|2-亚碘酰基苯甲酸|Iodosylbenzoic acid

General Information

Structure

Molecular Formula

C₇H₅IO₃

Molecular Mass

264.01727

Exact Mass

263.92834202

Charge

InChI

InChI=1S/C7H5IO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)

InChIKey

IFPHDUVGLXEIOQ-UHFFFAOYSA-N

Canonic Smiles

O=[I]c1ccccc1C(=O)O

Isomeric Smiles

[I](=O)c1c(cccc1)C(=O)O

Calculated Properties

JChem

Acid pKa

3.0489004

H Acceptors

H Donor

LogD (pH = 5.5)

0.003348205

LogD (pH = 7.4)

-1.0473341

Log P

2.4211574

Molar Refractivity

48.1196

Polarizability

19.42996

Polar Surface Area

54.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Iodosyl benzoic acid2-Iodosobenzoic acido-IODOSOBENZOIC ACID2-Iodosobenzoic acidIodosylbenzoic acid2-亚碘酰基苯甲酸

IUPAC Traditional name

o-iodosobenzoic acid

IUPAC name

2-iodosylbenzoic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Certificate of Analysis

Download link

Purity

97%

Physical Property

Melting Point

230 °C (dec.)(lit.)

ca 230°C dec.

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02102068

Crystalline
Reagent for chemical cleavage at tryptophyl and tyrosyl residues.

Sigma Aldrich

I8000

Application
For cleavage of tryptophanyl peptide bonds.

Molecule Details

References

PubChem Literature

From Data Sources

• Mahoney, W.C., Biochemistry , 20 : 443, (1981).

• Reagent for ɑ-hydroxylation of ketones; the by-product benzoic acid is easily removed by base extraction: Tetrahedron Lett., 25, 691 (1984). For an example, see: Org. Synth. Coll., 7, 263 (1990).

• Catalyst for cleavage of toxic phosphates and reactive esters: Tetrahedron Lett., 28, 251 (1987); J. Am. Chem. Soc., 108, 788 (1986); 116, 4471 (1994).

• Probably exists as the cyclized form 1-Hydroxy-1,1-dihydro-1,2-benzodioxol-3(1H)-one; CAS registry no. [161-62-4].

• For a review of polyvalent iodine compounds, see: Chem. Rev., 96, 1123 (1996).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

Iodosyl benzoic acid2-Iodosobenzoic acido-IODOSOBENZOIC ACID2-Iodosobenzoic acidIodosylbenzoic acid2-亚碘酰基苯甲酸

IUPAC Traditional name

o-iodosobenzoic acid

IUPAC name

2-iodosylbenzoic acid

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID

PubChem CID

Properties

Product Information

Certificate of Analysis

Download link

Purity

97%

Physical Property

Melting Point

230 °C (dec.)(lit.)

ca 230°C dec.

Molecule Details

MP Biomedicals

02102068

Crystalline
Reagent for chemical cleavage at tryptophyl and tyrosyl residues.

Sigma Aldrich

I8000

Application
For cleavage of tryptophanyl peptide bonds.

References

PubChem Literature

From Data Sources

• Mahoney, W.C., Biochemistry , 20 : 443, (1981).

• Catalyst for cleavage of toxic phosphates and reactive esters: Tetrahedron Lett., 28, 251 (1987); J. Am. Chem. Soc., 108, 788 (1986); 116, 4471 (1994).

• Probably exists as the cyclized form 1-Hydroxy-1,1-dihydro-1,2-benzodioxol-3(1H)-one; CAS registry no. [161-62-4].

• For a review of polyvalent iodine compounds, see: Chem. Rev., 96, 1123 (1996).

Bioactivity

PubChem BioAssay

Molecule

ID:91435