structure of 3-Chloro-5-tert-butylbenzoic acid

3-Chloro-5-tert-butylbenzoic acid

CAS No.: 1000341-32-1
M. Wt: 212.67300
M. Fa: C11H13ClO2
InChI Key: XMGFILMCFURRSS-UHFFFAOYSA-N

Names and Identifiers of 3-Chloro-5-tert-butylbenzoic acid

CAS Number

1000341-32-1

MDL Number

MFCD09880197

IUPAC Name

3-tert-butyl-5-chlorobenzoic acid

InChI

InChI=1S/C11H13ClO2/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6H,1-3H3,(H,13,14)

InChIKey

XMGFILMCFURRSS-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)Cl

UNSPSC Code

12352100

Physical and chemical properties of 3-Chloro-5-tert-butylbenzoic acid

Exact Mass

212.06000

H Bond Acceptors

2

H Bond Donors

1

LogP

3.33570

Molecular Formula

C11H13ClO2

Molecular Weight

212.67300

PSA

37.30000

Safety Information of 3-Chloro-5-tert-butylbenzoic acid

Pictograms

Signal Word

 Warning

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

Applications of 3-Chloro-5-tert-butylbenzoic acid

3-Chloro-5-tert-butylbenzoic acid finds applications in various fields:

  • Organic Synthesis: It serves as an intermediate in the synthesis of pharmaceuticals and agrochemicals.
  • Material Science: The compound may be used in the production of polymers and resins due to its chemical stability and reactivity.
  • Biological Research: Its potential biological activities make it a subject of interest for drug development and other biomedical applications.

Biological Activity of 3-Chloro-5-tert-butylbenzoic acid

Research into the biological activity of 3-chloro-5-tert-butylbenzoic acid indicates potential antimicrobial properties. Studies suggest that it may interact with cellular targets, inhibiting specific enzymes or receptors, although detailed mechanisms remain under investigation. Its unique structure may contribute to its biological effects, making it a candidate for further pharmacological studies.