Cas no 1181609-01-7 (4-Chloro-3-(4-hydroxyphenyl)benzoic acid)

4-Chloro-3-(4-hydroxyphenyl)benzoic acid structure
1181609-01-7 structure
Product Name:4-Chloro-3-(4-hydroxyphenyl)benzoic acid
CAS No:1181609-01-7
MF:C13H9ClO3
MW:248.661762952805
MDL:MFCD11933555
CID:2620643
PubChem ID:39232280
Update Time:2025-11-01

4-Chloro-3-(4-hydroxyphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • MFCD11933555
    • DTXSID70653527
    • 6-Chloro-4'-hydroxy[1,1'-biphenyl]-3-carboxylic acid
    • 1181609-01-7
    • 4-CHLORO-3-(4-HYDROXYPHENYL)BENZOIC ACID
    • SCHEMBL3220340
    • 4-Chloro-3-(4-hydroxyphenyl)benzoic acid, 95%
    • 4-Chloro-3-(4-hydroxyphenyl)benzoic acid
    • MDL: MFCD11933555
    • Inchi: 1S/C13H9ClO3/c14-12-6-3-9(13(16)17)7-11(12)8-1-4-10(15)5-2-8/h1-7,15H,(H,16,17)
    • InChI Key: WBRQZTXRXPDZBO-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=O)O)C=C1C1C=CC(=CC=1)O

Computed Properties

  • Exact Mass: 248.024
  • Monoisotopic Mass: 248.024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 274
  • 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: 57.5A^2

4-Chloro-3-(4-hydroxyphenyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB326000-5 g
4-Chloro-3-(4-hydroxyphenyl)benzoic acid, 95%; .
1181609-01-7 95%
5g
€1159.00 2023-04-26
abcr
AB326000-5g
4-Chloro-3-(4-hydroxyphenyl)benzoic acid, 95%; .
1181609-01-7 95%
5g
€1159.00 2025-04-22

Additional information on 4-Chloro-3-(4-hydroxyphenyl)benzoic acid

Comprehensive Analysis of 4-Chloro-3-(4-hydroxyphenyl)benzoic acid (CAS 1181609-01-7): Properties, Applications, and Industry Insights

4-Chloro-3-(4-hydroxyphenyl)benzoic acid (CAS 1181609-01-7) is a specialized organic compound gaining attention in pharmaceutical and chemical research due to its unique structural features. This chlorinated benzoic acid derivative combines a hydroxylphenyl moiety with a carboxylic acid functional group, making it a versatile intermediate for drug synthesis and material science applications. Researchers are particularly interested in its potential as a building block for bioactive molecules, given its balanced polarity and reactivity profile.

The compound's molecular structure (C13H9ClO3) features a chloro-substituted benzoic acid core linked to a para-hydroxyphenyl group, creating opportunities for diverse chemical modifications. Recent studies highlight its relevance in developing non-steroidal anti-inflammatory drug (NSAID) analogs, with researchers exploring its COX-2 inhibitory potential. The presence of both hydrogen bond donor (hydroxyl) and hydrogen bond acceptor (carboxyl) groups enhances its molecular recognition properties, a hot topic in current medicinal chemistry discussions.

From a synthetic chemistry perspective, CAS 1181609-01-7 serves as a valuable precursor for creating more complex architectures. Its bifunctional nature allows for selective transformations at either the aromatic hydroxyl or carboxyl groups, addressing the growing demand for modular synthetic approaches in drug discovery. Industry reports indicate increasing use of this compound in high-throughput screening libraries, particularly for targets involving protein-protein interactions—a key focus area in precision medicine development.

Analytical characterization of 4-Chloro-3-(4-hydroxyphenyl)benzoic acid typically involves advanced techniques like HPLC-MS and NMR spectroscopy, with particular attention to its tautomeric equilibrium in solution. The compound exhibits interesting pH-dependent solubility behavior, making it relevant to current discussions about drug formulation strategies and biopharmaceutical classification. These properties align with industry trends toward improved drug delivery systems, a frequently searched topic in pharmaceutical forums.

Environmental and safety profiles of CAS 1181609-01-7 have been evaluated according to modern green chemistry principles. The compound demonstrates favorable biodegradation potential compared to similar halogenated aromatics, addressing growing concerns about sustainable chemical production. This aspect connects with increasing searches for eco-friendly synthetic intermediates and green pharmaceutical ingredients—topics gaining traction in both academic and industrial circles.

Market analysis reveals steady growth in demand for 4-Chloro-3-(4-hydroxyphenyl)benzoic acid, particularly from contract research organizations (CROs) and specialty chemical manufacturers. The compound's application spectrum continues to expand beyond pharmaceuticals into areas like advanced material science and molecular electronics, reflecting broader industry shifts toward multifunctional organic materials. These developments correspond with frequent searches for high-performance organic compounds and specialty chemical market trends.

Ongoing research explores novel derivatives of CAS 1181609-01-7 for targeted therapies, particularly in inflammation and metabolic disorders. The compound's structural features enable rational drug design approaches that are currently dominating pharmaceutical R&D discussions. Its relevance to fragment-based drug discovery—a popular search term among medicinal chemists—makes it a valuable tool for addressing challenging biological targets.

Quality control protocols for 4-Chloro-3-(4-hydroxyphenyl)benzoic acid emphasize chromatographic purity assessments and residual solvent analysis, meeting stringent pharmaceutical grade standards. These procedures align with current good manufacturing practice (cGMP) requirements, a critical consideration for buyers searching for GMP-compliant intermediates. The compound's stability under various storage conditions has been extensively documented, providing valuable data for supply chain optimization in the chemical industry.

Future prospects for CAS 1181609-01-7 appear promising, with patent literature showing increasing incorporation into innovative therapeutic candidates. The compound's versatility supports its continued relevance in structure-activity relationship (SAR) studies, particularly for privileged structure-based drug design—a concept frequently explored in recent medicinal chemistry publications. As the pharmaceutical industry continues prioritizing molecular diversity and scaffold hopping strategies, this benzoic acid derivative remains a valuable asset for research programs worldwide.

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