Cas no 1049130-93-9 (4'-Ethylbiphenyl-3-carboxylic Acid)

4'-Ethylbiphenyl-3-carboxylic Acid is a biphenyl derivative featuring an ethyl substituent at the 4'-position and a carboxylic acid functional group at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, liquid crystals, and advanced materials. Its biphenyl core provides structural rigidity, while the carboxylic acid group allows for further functionalization through esterification, amidation, or other derivatization reactions. The ethyl substituent enhances lipophilicity, which can be advantageous in tuning solubility and binding properties. The compound is typically characterized by high purity and stability, making it suitable for precision applications in research and industrial chemistry.
4'-Ethylbiphenyl-3-carboxylic Acid structure
1049130-93-9 structure
Product Name:4'-Ethylbiphenyl-3-carboxylic Acid
CAS No:1049130-93-9
MF:C15H14O2
MW:226.270464420319
MDL:MFCD11574708
CID:856853
PubChem ID:15317436
Update Time:2025-11-06

4'-Ethylbiphenyl-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-ETHYLBIPHENYL-3-CARBOXYLIC ACID
    • 4'-Ethyl-[1,1'-biphenyl]-3-carboxylic acid
    • 3-(4-ethylphenyl)benzoic acid
    • 4'-Ethylbiphenyl-3-carboxylic acid
    • 1049130-93-9
    • DTXSID20571368
    • ZRB13093
    • 4''-Ethylbiphenyl-3-carboxylic Acid
    • BS-26150
    • DB-367788
    • AKOS002679811
    • 4'-Ethyl-[1,1'-biphenyl]-3-carboxylicacid
    • SCHEMBL13756311
    • 4'-Ethyl[1,1'-biphenyl]-3-carboxylic acid
    • MFCD11574708
    • 4'-Ethylbiphenyl-3-carboxylic Acid
    • MDL: MFCD11574708
    • Inchi: 1S/C15H14O2/c1-2-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15(16)17/h3-10H,2H2,1H3,(H,16,17)
    • InChI Key: CHQHBOMSKFIMJY-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)C1C=CC(=CC=1)CC)=O

Computed Properties

  • Exact Mass: 226.09900
  • Monoisotopic Mass: 226.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • 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: 4.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.130±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 406.5±34.0 °C at 760 mmHg
  • Flash Point: 186.6±20.3 °C
  • Solubility: Almost insoluble (0.034 g/l) (25 o C),
  • PSA: 37.30000
  • LogP: 3.61420
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

4'-Ethylbiphenyl-3-carboxylic Acid Security Information

4'-Ethylbiphenyl-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%

4'-Ethylbiphenyl-3-carboxylic Acid Pricemore >>

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Additional information on 4'-Ethylbiphenyl-3-carboxylic Acid

Introduction to 4'-Ethylbiphenyl-3-carboxylic Acid (CAS No. 1049130-93-9)

4'-Ethylbiphenyl-3-carboxylic Acid, identified by the Chemical Abstracts Service Number (CAS No.) 1049130-93-9, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This biphenyl derivative exhibits a unique structural configuration, featuring an ethyl group at the 4'-position and a carboxylic acid functional group at the 3-position, which contributes to its distinct chemical properties and potential applications.

The compound belongs to the class of biphenylcarboxylic acids, a category of molecules that have been widely studied for their diverse biological activities and industrial uses. The presence of the carboxylic acid moiety enhances its solubility in polar solvents and allows for further chemical modifications, making it a versatile intermediate in synthetic chemistry. Additionally, the ethyl substituent at the 4'-position influences the compound's electronic and steric properties, potentially affecting its reactivity and interaction with biological targets.

In recent years, 4'-Ethylbiphenyl-3-carboxylic Acid has been explored for its potential applications in drug discovery and development. Its structural framework suggests that it may exhibit properties similar to other biphenyl derivatives known for their pharmacological activity. For instance, studies have indicated that biphenylcarboxylic acids can serve as scaffolds for designing molecules with antimicrobial, anti-inflammatory, and anticancer properties. The specific arrangement of atoms in 4'-Ethylbiphenyl-3-carboxylic Acid may confer unique advantages in these applications, such as improved binding affinity or selectivity towards certain biological receptors.

One of the most promising areas of research involving 4'-Ethylbiphenyl-3-carboxylic Acid is its role as a precursor in the synthesis of more complex pharmaceutical agents. Researchers have leveraged its reactive sites to develop novel compounds that mimic natural bioactive molecules. The carboxylic acid group can be esterified or amidated to create derivatives with enhanced stability or bioavailability, while the biphenyl core can be further functionalized to target specific therapeutic pathways. These modifications have opened up new avenues for developing treatments against various diseases.

The compound's potential also extends to materials science, where biphenyl derivatives are valued for their thermal stability and electronic properties. 4'-Ethylbiphenyl-3-carboxylic Acid could be utilized in the development of advanced polymers, liquid crystals, or organic semiconductors. Its ability to form stable complexes with other molecules makes it a candidate for creating novel materials with tailored functionalities. For example, it might be incorporated into coatings that exhibit improved durability or into electronic components that enhance performance.

Recent advancements in computational chemistry have further highlighted the significance of 4'-Ethylbiphenyl-3-carboxylic Acid. Molecular modeling studies suggest that its structure allows for optimal interactions with biological targets, making it a promising candidate for drug design. By simulating its behavior in complex molecular systems, researchers can predict its efficacy and optimize its properties before conducting expensive experimental trials. This approach has accelerated the discovery process in pharmaceutical research and has led to the identification of several lead compounds with therapeutic potential.

The synthesis of 4'-Ethylbiphenyl-3-carboxylic Acid is another area where innovation has been ongoing. Traditional synthetic routes have been refined to improve yield and purity, ensuring that researchers have access to high-quality starting materials for their investigations. New methodologies, such as catalytic asymmetric synthesis, have enabled the production of enantiomerically pure forms of the compound, which is crucial for applications where stereochemistry plays a critical role.

In conclusion, 4'-Ethylbiphenyl-3-carboxylic Acid (CAS No. 1049130-93-9) represents a fascinating molecule with broad applications across multiple scientific disciplines. Its unique structural features make it a valuable tool in pharmaceutical research, materials science, and beyond. As our understanding of its properties continues to grow, so too will its potential contributions to advancing scientific knowledge and technological innovation.

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