Cas no 203916-57-8 (Benzoic acid,5-amino-2,3,4-trifluoro-)

Benzoic acid, 5-amino-2,3,4-trifluoro-, is a fluorinated aromatic compound featuring a trifluorinated benzene ring with an amino group at the 5-position. This structural configuration imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of multiple fluorine atoms enhances its lipophilicity and metabolic stability, while the amino group offers a reactive site for further derivatization. Its high purity and consistent performance make it suitable for applications requiring precise molecular modifications. The compound is particularly useful in the development of active ingredients where fluorine substitution is critical for bioactivity or environmental persistence.
Benzoic acid,5-amino-2,3,4-trifluoro- structure
203916-57-8 structure
Product Name:Benzoic acid,5-amino-2,3,4-trifluoro-
CAS No:203916-57-8
MF:C7H4F3NO2
MW:191.107372283936
CID:241271
PubChem ID:10976306
Update Time:2025-10-31

Benzoic acid,5-amino-2,3,4-trifluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,5-amino-2,3,4-trifluoro-
    • 5-Amino-2,3,4-trifluorobenzoic acid
    • BENZOIC ACID,5-AMINO-2,3,4-TRIFLUORO
    • SCHEMBL7489684
    • 5-AMINO-2,3,4-TRIFLUOROBENZOICACID
    • AKOS006306825
    • 203916-57-8
    • EN300-384123
    • Z1198307030
    • AB62894
    • Benzoic acid, 5-amino-2,3,4-trifluoro- (9CI)
    • Inchi: 1S/C7H4F3NO2/c8-4-2(7(12)13)1-3(11)5(9)6(4)10/h1H,11H2,(H,12,13)
    • InChI Key: LXBTXBZKLHORRQ-UHFFFAOYSA-N
    • SMILES: FC1=C(C(=C(C=C1C(=O)O)N)F)F

Computed Properties

  • Exact Mass: 191.01900
  • Monoisotopic Mass: 191.01941286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 214
  • 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: 1.1
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.635
  • Boiling Point: 333.5°Cat760mmHg
  • Flash Point: 155.5°C
  • Refractive Index: 1.553
  • PSA: 63.32000
  • LogP: 1.96550

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Additional information on Benzoic acid,5-amino-2,3,4-trifluoro-

Benzoic acid,5-amino-2,3,4-trifluoro- (CAS No. 203916-57-8): A Comprehensive Overview

Benzoic acid,5-amino-2,3,4-trifluoro- is a fluorinated aromatic compound with significant applications in pharmaceutical research and industrial chemistry. Its unique structural features, characterized by the presence of amino and trifluoromethyl groups, make it a versatile intermediate in the synthesis of various bioactive molecules. With a CAS number of 203916-57-8, this compound has garnered attention for its potential in drug development and material science.

The chemical structure of Benzoic acid,5-amino-2,3,4-trifluoro- consists of a benzene ring substituted with an amino group at the 5-position and trifluoromethyl groups at the 2-, 3-, and 4-positions. This arrangement imparts unique electronic and steric properties to the molecule, influencing its reactivity and interactions with biological targets. The fluorine atoms, in particular, enhance the compound's lipophilicity and metabolic stability, making it an attractive candidate for medicinal chemistry applications.

In recent years, there has been growing interest in fluorinated aromatic compounds due to their enhanced biological activity and improved pharmacokinetic profiles. Studies have demonstrated that the introduction of fluorine atoms can modulate the binding affinity of drug candidates to their receptors, leading to more efficient therapeutic outcomes. Benzoic acid,5-amino-2,3,4-trifluoro-, with its distinct fluorinated scaffold, has been explored in various research avenues.

One of the key areas where Benzoic acid,5-amino-2,3,4-trifluoro- has shown promise is in the development of anticancer agents. The trifluoromethyl group is known to enhance the binding affinity of molecules to tyrosine kinase inhibitors, which are widely used in cancer therapy. Furthermore, the amino group provides a site for further functionalization, allowing for the creation of more complex derivatives with tailored biological activities. Recent studies have highlighted its potential as a precursor in synthesizing novel kinase inhibitors that target specific cancer pathways.

The compound's unique properties also make it valuable in materials science. Fluorinated aromatic compounds are often employed in the development of advanced materials due to their thermal stability and resistance to chemical degradation. Benzoic acid,5-amino-2,3,4-trifluoro- has been investigated as a building block for high-performance polymers and coatings that exhibit superior durability and chemical resistance.

In addition to its pharmaceutical and material science applications, Benzoic acid,5-amino-2,3,4-trifluoro- has found utility in agrochemical research. The presence of fluorine atoms can improve the efficacy of pesticides and herbicides by enhancing their bioavailability and target specificity. Researchers have explored derivatives of this compound as potential candidates for next-generation crop protection agents.

The synthesis of Benzoic acid,5-amino-2,3,4-trifluoro- involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common synthetic routes include halogenation followed by nucleophilic substitution or metal-catalyzed cross-coupling reactions. The choice of reaction conditions depends on factors such as substrate availability and desired purity levels.

The safety profile of Benzoic acid,5-amino-2,3,4-trifluoro- is another critical consideration in its application. While it is not classified as a hazardous material under standard regulatory guidelines, proper handling procedures should still be followed to minimize exposure risks. Personal protective equipment such as gloves, goggles, and lab coats is recommended when working with this compound.

The future prospects for Benzoic acid,5-amino-2,3,4-trifluoro- are promising, given its versatility and potential across multiple industries. Ongoing research aims to uncover new synthetic methodologies that improve efficiency and sustainability. Additionally, exploring its applications in emerging fields such as nanotechnology and green chemistry could open up new avenues for innovation.

In conclusion,Benzoic acid,5-amino-2,3,4-trifluoro-(CAS No. 203916-57-8) is a multifaceted compound with significant implications in pharmaceuticals, materials science, and agrochemicals。 Its unique structural features make it a valuable intermediate for synthesizing bioactive molecules, while its fluorinated nature enhances its biological activity。 As research continues to uncover new applications, this compound is poised to play an increasingly important role in scientific advancements across various disciplines.

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