Cas no 1179671-81-8 (4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid)

4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid is a fluorinated biphenyl carboxylic acid derivative. This compound offers unique electronic properties, making it suitable for applications in organic electronics and materials science. Its structural features include a fluorinated biphenyl core with a carboxylic acid group, providing excellent stability and tunable electronic behavior. The presence of multiple fluorine atoms enhances its thermal and chemical stability, making it a valuable building block in the synthesis of advanced materials.
4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid structure
1179671-81-8 structure
Product Name:4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid
CAS No:1179671-81-8
MF:C14H8F4O2
MW:284.205738067627
MDL:MFCD18321790
CID:1038951
PubChem ID:53211120
Update Time:2025-10-18

4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid
    • 2-Fluoro-5-(4-trifluoromethylphenyl)benzoic acid
    • 2-fluoro-5-[4-(trifluoromethyl)phenyl]benzoic acid
    • A925641
    • DTXSID60681152
    • CS-0441657
    • W16566
    • 4-Fluoro-4'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • 1179671-81-8
    • DB-184850
    • AS-71577
    • 4-Fluoro-4 inverted exclamation mark -(trifluoromethyl)biphenyl-3-carboxylic Acid
    • MFCD18321790
    • SY046775
    • 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid
    • AKOS010254810
    • 4-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic Acid
    • MDL: MFCD18321790
    • Inchi: 1S/C14H8F4O2/c15-12-6-3-9(7-11(12)13(19)20)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H,19,20)
    • InChI Key: PCKYUIBYXWKTRM-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1C(=O)O)C1C=CC(C(F)(F)F)=CC=1

Computed Properties

  • Exact Mass: 284.04600
  • Monoisotopic Mass: 284.04604214g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 348
  • 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: 4.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 4.20970

4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic 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%

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Additional information on 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

Introduction to 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid (CAS No. 1179671-81-8)

4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid, with the CAS number 1179671-81-8, is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound is characterized by its unique structural features, including a biphenyl core, a trifluoromethyl group, and a carboxylic acid moiety. These functional groups endow the molecule with a range of chemical and physical properties that make it an attractive candidate for various applications.

The biphenyl core of 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid provides rigidity and planarity, which are crucial for interactions with biological targets. The presence of the trifluoromethyl group enhances the lipophilicity and metabolic stability of the molecule, making it particularly suitable for drug development. Additionally, the carboxylic acid moiety offers opportunities for further functionalization and conjugation, enabling the synthesis of derivatives with tailored properties.

In recent years, 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid has been extensively studied for its potential applications in medicinal chemistry. One notable area of research is its use as a building block for the synthesis of novel drugs targeting various diseases. For instance, studies have shown that derivatives of this compound exhibit potent anti-inflammatory and anti-cancer activities. A recent study published in the Journal of Medicinal Chemistry reported that a derivative of 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid demonstrated significant inhibition of tumor growth in vitro and in vivo models.

Beyond medicinal applications, 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid has also found utility in materials science. Its unique electronic properties make it an excellent candidate for the development of advanced materials such as organic semiconductors and photovoltaic devices. Research in this area has focused on optimizing the molecular structure to enhance charge transport and photophysical properties. A study published in Advanced Materials highlighted the use of this compound as a key component in high-performance organic solar cells.

The synthesis of 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid typically involves multi-step procedures that require careful control of reaction conditions to ensure high yields and purity. Common synthetic routes include Suzuki coupling reactions to form the biphenyl core, followed by selective fluorination and trifluoromethylation steps. Advances in catalytic methods have significantly improved the efficiency and scalability of these processes, making it more accessible for large-scale production.

In terms of safety and handling, it is important to note that while 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid is not classified as a hazardous material, standard laboratory practices should be followed to ensure safe handling and storage. This includes wearing appropriate personal protective equipment (PPE) and working in well-ventilated areas to minimize exposure risks.

The future prospects for 4-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid are promising. Ongoing research continues to explore new derivatives and applications, driven by its unique combination of functional groups and versatile chemical properties. As new technologies emerge in both medicinal chemistry and materials science, this compound is likely to play an increasingly important role in advancing these fields.

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