3-Chlorobenzoic acid
3-Chlorobenzoic acid (CAS No.: 535-80-8) is a chlorinated aromatic compound widely utilized as a model substrate in studies of microbial degradation of halogenated aromatic pollutants and as a versatile fragment scaffold in medicinal chemistry and drug discovery research. It serves as a representative compound for investigating biodegradation pathways, including enzymatic ring-cleavage and dechlorination processes mediated by specialized microorganisms such as certain Pseudomonas species, which can metabolize it as a sole carbon source. These properties make it valuable for elucidating enzyme systems and regulatory networks involved in aromatic compound catabolism, as well as for screening and characterizing microbial strains with potential applications in bioremediation research. In parallel, its well-defined aromatic framework supports its use as a building block for molecular modification, enabling structure–activity relationship studies and the design of novel small molecules in early-stage drug discovery. While specific molecular targets are not intrinsic to the compound itself, its biological relevance is linked to metabolic enzymes associated with xenobiotic degradation pathways, including oxygenases and dehalogenases. In vitro investigations typically employ concentrations in the micromolar range depending on assay design, particularly in microbial culture systems or enzyme assays, where it is used to probe catalytic activity and substrate specificity. Overall, 3-chlorobenzoic acid functions as both a biochemical probe for environmental and microbial metabolism studies and a foundational scaffold for chemical biology and pharmaceutical research applications.
| Physical Appearance | A solid |
| Storage | -20°C |
| M.Wt | 156.57 |
| Cas No. | 535-80-8 |
| Formula | C7H5ClO2 |
| Solubility | insoluble in H2O; ≥100.2 mg/mL in DMSO; ≥99 mg/mL in EtOH |
| Chemical Name | 3-chlorobenzoic acid |
| Canonical SMILES | ClC1=CC=CC(C(O)=O)=C1 |
| Shipping Condition | Small Molecules with Blue Ice, Modified Nucleotides with Dry Ice. |
| General tips | We do not recommend long-term storage for the solution, please use it up soon. |







