structure of 3-(tert-Butyl)-5-iodobenzoic acid

3-(tert-Butyl)-5-iodobenzoic acid

CAS No.: 1000341-29-6
M. Wt: 304.12400
M. Fa: C11H13IO2
InChI Key: MKMRQBVKCBAPSH-UHFFFAOYSA-N
Appearance: White To Off-White Solid

Names and Identifiers of 3-(tert-Butyl)-5-iodobenzoic acid

CAS Number

1000341-29-6

MDL Number

MFCD09880195

IUPAC Name

3-tert-butyl-5-iodobenzoic acid

InChI

InChI=1S/C11H13IO2/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6H,1-3H3,(H,13,14)

InChIKey

MKMRQBVKCBAPSH-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)I

UNSPSC Code

12352100

Physical and chemical properties of 3-(tert-Butyl)-5-iodobenzoic acid

Exact Mass

303.99600

H Bond Acceptors

2

H Bond Donors

1

LogP

3.28690

Molecular Formula

C11H13IO2

Molecular Weight

304.12400

PSA

37.30000

Safety Information of 3-(tert-Butyl)-5-iodobenzoic acid

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 3-(tert-Butyl)-5-iodobenzoic acid

3-(tert-Butyl)-5-iodobenzoic acid has potential applications in:

  • Organic Synthesis: It serves as an intermediate in the synthesis of more complex organic molecules.
  • Pharmaceutical Chemistry: Its derivatives may be explored for their medicinal properties.
  • Material Science: Compounds with similar structures are investigated for their utility in creating new materials with desirable electronic properties.

Interaction Studies of 3-(tert-Butyl)-5-iodobenzoic acid

Studies involving similar compounds suggest that 3-(tert-Butyl)-5-iodobenzoic acid could interact with various biological targets. For instance, derivatives of iodinated benzoic acids have been studied for their ability to modulate enzyme activity or interact with cellular receptors. Further research is required to elucidate specific interactions and mechanisms of action for this compound.