Cas no 1179618-11-1 (5-(4-Chlorophenyl)-2-fluorobenzoic Acid)

5-(4-Chlorophenyl)-2-fluorobenzoic acid is a fluorinated benzoic acid derivative featuring a 4-chlorophenyl substituent at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research, where its unique structural motifs enable further functionalization. The presence of both fluorine and chlorine atoms enhances its reactivity and potential as a building block for bioactive molecules. Its high purity and stability under standard conditions make it suitable for precise synthetic applications. The compound is typically characterized by NMR, HPLC, and mass spectrometry to ensure quality and consistency in research and industrial settings.
5-(4-Chlorophenyl)-2-fluorobenzoic Acid structure
1179618-11-1 structure
Product Name:5-(4-Chlorophenyl)-2-fluorobenzoic Acid
CAS No:1179618-11-1
MF:C13H8ClFO2
MW:250.652826309204
MDL:MFCD12859177
CID:1037939
Update Time:2025-10-31

5-(4-Chlorophenyl)-2-fluorobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4'-Chloro-4-fluoro-[1,1'-biphenyl]-3-carboxylic acid
    • 5-(4-chlorophenyl)-2-fluorobenzoic acid
    • 5-(4-Chlorophenyl)-2-fluorobenzoic Acid
    • MDL: MFCD12859177
    • Inchi: 1S/C13H8ClFO2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,(H,16,17)
    • InChI Key: XFDPZBMURWRFGE-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1C=CC(=C(C(=O)O)C=1)F

Computed Properties

  • Exact Mass: 250.02000
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 37.30000
  • LogP: 3.84430

5-(4-Chlorophenyl)-2-fluorobenzoic Acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

5-(4-Chlorophenyl)-2-fluorobenzoic Acid Pricemore >>

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Additional information on 5-(4-Chlorophenyl)-2-fluorobenzoic Acid

Comprehensive Overview of 5-(4-Chlorophenyl)-2-fluorobenzoic Acid (CAS 1179618-11-1): Properties, Applications, and Industry Insights

5-(4-Chlorophenyl)-2-fluorobenzoic Acid (CAS 1179618-11-1) is a fluorinated aromatic carboxylic acid derivative gaining traction in pharmaceutical and agrochemical research. Its unique structural features, including the 4-chlorophenyl and 2-fluoro substituents, contribute to its versatility as a building block in organic synthesis. This compound belongs to the class of halogenated benzoic acids, which are widely explored for their bioactivity and material science applications.

In recent years, the demand for fluorinated organic compounds like 5-(4-Chlorophenyl)-2-fluorobenzoic Acid has surged due to their enhanced metabolic stability and membrane permeability—key attributes in drug discovery. Researchers frequently search for "CAS 1179618-11-1 solubility" or "synthesis of fluorinated benzoic acids," reflecting growing interest in its physicochemical properties and synthetic routes. The compound's logP value and hydrogen bonding capacity make it particularly relevant for medicinal chemistry optimization projects.

The pharmaceutical industry utilizes 5-(4-Chlorophenyl)-2-fluorobenzoic Acid as a precursor for small molecule inhibitors, with published studies investigating its potential in kinase modulation. Its chloro-fluoro substitution pattern enables precise molecular interactions with biological targets, a feature highlighted in recent patent literature. Environmental scientists also examine derivatives of this compound for biodegradation pathways, addressing concerns about persistent organic pollutants.

Analytical characterization of CAS 1179618-11-1 typically involves HPLC purity analysis, mass spectrometry, and NMR spectroscopy. The compound's melting point (reported between 160-165°C) and crystalline structure are frequently discussed in technical forums. Current research trends explore its use in metal-organic frameworks (MOFs) and as a ligand in catalytic systems, demonstrating cross-disciplinary applications.

From a commercial perspective, 5-(4-Chlorophenyl)-2-fluorobenzoic Acid manufacturers emphasize GMP-grade production to meet pharmaceutical standards. Quality control parameters such as residual solvent levels and heavy metal content are critical specifications for buyers. The compound's stability under various pH conditions and thermal degradation profiles are common topics in supplier technical documentation.

Emerging applications include the development of fluorescent probes derived from this scaffold, leveraging its aromatic fluorescence properties. Recent publications have investigated its structure-activity relationships (SAR) in designing bioimaging agents. These developments align with industry searches for "fluorinated biomarkers" and "multifunctional aromatic acids," indicating expanding use cases beyond traditional chemistry.

Regulatory considerations for CAS 1179618-11-1 focus on REACH compliance and proper handling protocols, though it doesn't fall under restricted substance lists. Safety data sheets highlight standard precautions for laboratory chemicals, including recommendations for personal protective equipment (PPE). Environmental fate studies suggest moderate soil adsorption coefficients, prompting ongoing research into green chemistry alternatives for its synthesis.

The global market for halogenated benzoic acid derivatives shows steady growth, with 5-(4-Chlorophenyl)-2-fluorobenzoic Acid occupying a niche position. Procurement specialists often compare bulk pricing trends and regional supplier capabilities when sourcing this material. Advanced applications in electronic materials and liquid crystal formulations represent potential future growth areas for this versatile compound.

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