Cas no 168619-04-3 (3'-Fluorobiphenyl-3-carboxylic Acid)

3'-Fluorobiphenyl-3-carboxylic acid is a fluorinated biphenyl derivative featuring a carboxylic acid functional group at the 3-position and a fluorine substituent at the 3'-position of the biphenyl scaffold. This compound is valued for its utility as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. The fluorine substitution enhances electronic properties and metabolic stability, while the carboxylic acid group allows for further functionalization through coupling or derivatization reactions. Its well-defined structure makes it suitable for applications in medicinal chemistry, including the development of bioactive molecules and ligand design. High purity and consistent quality ensure reliable performance in synthetic workflows.
3'-Fluorobiphenyl-3-carboxylic Acid structure
168619-04-3 structure
Product Name:3'-Fluorobiphenyl-3-carboxylic Acid
CAS No:168619-04-3
MF:C13H9FO2
MW:216.207767248154
MDL:MFCD03424608
CID:210336
PubChem ID:329776496
Update Time:2025-05-20

3'-Fluorobiphenyl-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 3'-Fluoro-[1,1'-biphenyl]-3-carboxylic acid
    • [1,1'-Biphenyl]-3-carboxylicacid, 3'-fluoro-
    • 3′-Fluorobiphenyl-3-carboxylic acid
    • 3'-Fluorobiphenyl-3-carboxylic acid
    • 3-Fluorobiphenyl-3-carboxylic acid
    • 3-(3-fluorophenyl)benzoic acid
    • AKOS B025019
    • AKOS BAR-0025
    • RARECHEM AL BE 1343
    • ART-CHEM-BB B025019
    • CHEMBRDG-BB 4400451
    • 3-BIPHENYL-3'-FLUORO-CARBOXYLIC ACID
    • 3'-FLUORO-BIPHENYL-3-CARBOXYLIC ACID
    • 3'-FLUORO[1,1'-BIPHENYL]-3-CARBOXYLIC ACID
    • 3'-fluorobiphenyl-3-carboxylic acid(SALTDATA: FREE)
    • BB 0222376
    • 3'-Fluorobiphenyl-3-carboxylic acid, AldrichCPR
    • 3/'-FLUORO-BIPHENYL-3-CARBOXYLIC ACID
    • PS-7931
    • AB01332401-02
    • AKOS000314408
    • CS-0171092
    • NCGC00341505-01
    • SCHEMBL121809
    • AB14553
    • [1,1'-BIPHENYL]-3-CARBOXYLIC ACID, 3'-FLUORO-
    • FT-0643611
    • 168619-04-3
    • 3'-Fluorobiphenyl-3-carboxylicacid
    • MZZYPWIFSCZUHN-UHFFFAOYSA-N
    • Q4G
    • CHEMBL4167110
    • DTXSID80382215
    • 3'-Fluoro-[1,1'-biphenyl]-3-carboxylicacid
    • DB-043750
    • STK013713
    • 3'-Fluorobiphenyl-3-carboxylic Acid
    • MDL: MFCD03424608
    • Inchi: 1S/C13H9FO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H,15,16)
    • InChI Key: MZZYPWIFSCZUHN-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C1C=CC=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 216.05900
  • Monoisotopic Mass: 216.05865769g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 254
  • 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: 3.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 392.9±25.0 °C at 760 mmHg
  • Flash Point: 191.4±23.2 °C
  • PSA: 37.30000
  • LogP: 3.19090
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3'-Fluorobiphenyl-3-carboxylic Acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P264;P270;P301+P312;P330;P501
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code: 22
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • Safety Term:S26-36/37/39
  • Storage Condition:Room temperature
  • Risk Phrases:R36/37/38

3'-Fluorobiphenyl-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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3'-Fluorobiphenyl-3-carboxylic Acid Production Method

Additional information on 3'-Fluorobiphenyl-3-carboxylic Acid

Introduction to 3'-Fluorobiphenyl-3-carboxylic Acid (CAS No. 168619-04-3) and Its Emerging Applications in Chemical Biology and Medicinal Chemistry

3'-Fluorobiphenyl-3-carboxylic acid, identified by the chemical identifier CAS No. 168619-04-3, is a fluorinated biphenyl derivative that has garnered significant attention in the fields of chemical biology and medicinal chemistry due to its unique structural properties and promising biological activities. This compound, characterized by a fluorine substituent at the 3'-position of a biphenyl core with a carboxylic acid functional group at the 3-position, exhibits distinct electronic and steric characteristics that make it a valuable scaffold for the development of novel therapeutic agents.

The incorporation of fluorine atoms into aromatic rings, such as biphenyl, is a well-established strategy in medicinal chemistry to modulate physicochemical properties and enhance biological efficacy. The fluorine atom at the 3'-position in 3'-Fluorobiphenyl-3-carboxylic acid introduces electron-withdrawing effects, which can influence the reactivity and binding affinity of the molecule. Additionally, the carboxylic acid group provides a site for further functionalization, enabling the synthesis of derivatives with tailored properties for specific applications.

Recent studies have highlighted the potential of fluorinated biphenyls as key motifs in drug discovery. For instance, compounds containing fluoro-substituted biphenyl cores have been shown to exhibit enhanced metabolic stability, improved bioavailability, and increased binding affinity to biological targets. The structural rigidity of the biphenyl framework, combined with the electronic modulation provided by fluorine, makes this class of compounds particularly attractive for designing small-molecule inhibitors and activators.

In the realm of chemical biology, 3'-Fluorobiphenyl-3-carboxylic acid has been investigated for its role in modulating enzyme activity and receptor interactions. Fluorinated aromatic compounds are known to interact with biological systems through various mechanisms, including hydrogen bonding, π-stacking interactions, and electrostatic effects. The presence of both a fluorine atom and a carboxylic acid group in 3'-Fluorobiphenyl-3-carboxylic acid allows for multiple points of interaction with biological targets, potentially enhancing its therapeutic profile.

One of the most compelling aspects of 3'-Fluorobiphenyl-3-carboxylic acid is its utility as a building block for more complex molecules. Researchers have leveraged this compound to synthesize derivatives with specific pharmacological activities. For example, modifications at the 4-position of the biphenyl ring or further derivatization of the carboxylic acid group have led to compounds with enhanced potency and selectivity in preclinical studies. These findings underscore the versatility of 3'-Fluorobiphenyl-3-carboxylic acid as a scaffold for drug development.

The growing interest in fluorinated compounds is also driven by their favorable pharmacokinetic properties. Fluorine atoms can influence solubility, permeability, and metabolic clearance rates, making them valuable for optimizing drug-like characteristics. 3'-Fluorobiphenyl-3-carboxylic acid, with its well-defined structure and functional groups, serves as an excellent starting point for exploring these properties further.

Advances in synthetic methodologies have further facilitated the exploration of 3'-Fluorobiphenyl-3-carboxylic acid derivatives. Modern techniques such as transition-metal-catalyzed cross-coupling reactions and fluorochemical transformations have enabled the efficient construction of complex fluorinated biphenyl structures. These methods have opened new avenues for generating novel analogs with tailored biological activities.

In conclusion, 3'-Fluorobiphenyl-3-carboxylic acid (CAS No. 168619-04-3) represents a promising compound in the field of chemical biology and medicinal chemistry. Its unique structural features, combined with its potential for further functionalization, make it an invaluable tool for drug discovery and development. As research continues to uncover new applications for fluorinated biphenyls, compounds like 3'-Fluorobiphenyl-3-carboxylic acid are poised to play a crucial role in shaping the future of therapeutic innovation.

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