Cas no 1258622-09-1 (3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid)

3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid is a substituted benzoic acid derivative featuring a chloro-methylphenyl group and a hydroxyl substituent on the aromatic ring. This compound is of interest in synthetic organic chemistry and pharmaceutical research due to its potential as an intermediate in the development of bioactive molecules. The presence of both hydroxyl and carboxylic acid functional groups enhances its reactivity, enabling further derivatization for applications in medicinal chemistry or material science. Its structural features may contribute to specific binding interactions, making it a valuable scaffold for designing enzyme inhibitors or receptor modulators. The compound’s purity and stability are critical for reproducible synthetic outcomes.
3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid structure
1258622-09-1 structure
Product Name:3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid
CAS No:1258622-09-1
MF:C14H11ClO3
MW:262.688343286514
MDL:MFCD18086721
CID:2760926
PubChem ID:53226614
Update Time:2025-10-19

3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2-CHLORO-4-METHYLPHENYL)-5-HYDROXYBENZOIC ACID
    • 1258622-09-1
    • MFCD18086721
    • 2'-Chloro-5-hydroxy-4'-methyl[1,1'-biphenyl]-3-carboxylic acid
    • 3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid, 95%
    • DTXSID90690232
    • 3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid
    • MDL: MFCD18086721
    • Inchi: 1S/C14H11ClO3/c1-8-2-3-12(13(15)4-8)9-5-10(14(17)18)7-11(16)6-9/h2-7,16H,1H3,(H,17,18)
    • InChI Key: WUJCVGNHCZNZPL-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C)C=CC=1C1C=C(C=C(C(=O)O)C=1)O

Computed Properties

  • Exact Mass: 262.0396719Da
  • Monoisotopic Mass: 262.0396719Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 57.5?2

3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB327917-5 g
3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid, 95%; .
1258622-09-1 95%
5g
€1159.00 2023-04-26
abcr
AB327917-5g
3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid, 95%; .
1258622-09-1 95%
5g
€1159.00 2025-04-21

Additional information on 3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid

Comprehensive Overview of 3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid (CAS No. 1258622-09-1): Properties, Applications, and Industry Insights

3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid (CAS No. 1258622-09-1) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique structural features. This hydroxybenzoic acid derivative combines a chloro-substituted aromatic ring with a carboxyl group, making it a versatile intermediate for synthesizing bioactive molecules. Researchers are particularly interested in its potential as a building block for drug discovery, especially in developing anti-inflammatory and antimicrobial agents.

The compound's molecular structure features a chloro-methylphenyl group at the 3-position and a hydroxyl group at the 5-position of the benzoic acid core, creating distinct electronic properties. This configuration influences its solubility profile and reactivity patterns, which are critical for formulation scientists. Recent studies highlight its utility in creating targeted drug delivery systems, where the hydroxyl group serves as an attachment point for prodrug strategies. The CAS No. 1258622-09-1 has become a frequent search term among medicinal chemists exploring structure-activity relationships in small molecule therapeutics.

In material science applications, 3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid demonstrates promise as a monomer for specialty polymers. Its dual functional groups allow for copolymerization with various substrates, yielding materials with tailored thermal and mechanical properties. Industry reports suggest growing demand for this compound in developing high-performance coatings and electronic materials, particularly in the renewable energy sector where stable organic matrices are needed for photovoltaic applications.

Analytical characterization of CAS No. 1258622-09-1 typically involves advanced techniques such as HPLC-MS and NMR spectroscopy. The compound shows characteristic peaks in the aromatic region (7-8 ppm in 1H NMR) and distinctive fragmentation patterns in mass spectrometry. These analytical signatures are crucial for quality control in GMP-compliant synthesis, especially when the material is intended for pharmaceutical use. Recent method development publications emphasize optimized chromatographic separation protocols for this compound and its derivatives.

Environmental and safety assessments of 3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid indicate it requires standard laboratory handling precautions. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and eye protection is recommended during manipulation. The compound's biodegradation profile and ecotoxicological data have become increasingly relevant topics in green chemistry forums, reflecting the industry's shift toward sustainable practices.

Market intelligence reveals expanding applications of CAS No. 1258622-09-1 in crop protection formulations. Its structural motifs appear in several patent filings for next-generation plant growth regulators and fungicidal agents. Agricultural researchers are investigating its role in combating resistant fungal strains, a pressing concern in modern agriscience. This application aligns with current trends toward precision agriculture and reduced environmental impact of agrochemicals.

The synthesis of 3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid typically proceeds through multi-step organic transformations involving Friedel-Crafts acylation and subsequent functional group modifications. Recent process chemistry publications describe improved catalytic methods that enhance yield and purity while reducing waste generation. These advancements address the pharmaceutical industry's need for cost-effective synthetic routes to complex intermediates.

From a regulatory perspective, CAS No. 1258622-09-1 currently falls under general chemical classification schemes in most jurisdictions. However, manufacturers should monitor evolving REACH compliance requirements and global harmonization initiatives that may affect its status. The compound's patent landscape shows active development, particularly in Asia-Pacific markets where innovation in fine chemicals is accelerating.

Emerging research explores the compound's potential in bioconjugation chemistry and proteolysis-targeting chimeras (PROTACs). Its ability to serve as a linker molecule in these advanced therapeutic modalities has sparked interest among biopharmaceutical companies. This application represents a convergence with current drug discovery trends focusing on targeted protein degradation and modular drug design.

Quality specifications for 3-(2-Chloro-4-methylphenyl)-5-hydroxybenzoic acid vary by application, with pharmaceutical-grade material typically requiring ≥98% purity by HPLC. Analytical certificates should include detailed impurity profiles and residual solvent analysis. Storage recommendations generally suggest protection from light and moisture at controlled temperatures to maintain stability, particularly for long-term research samples.

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