Cas no 871254-75-0 (BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL)-)

Benzoic acid, 3,5-dichloro-2-(trifluoromethyl)-, is a halogenated aromatic compound characterized by its trifluoromethyl and chloro substituents, which enhance its reactivity and stability. This derivative of benzoic acid is particularly valued in organic synthesis and pharmaceutical intermediates due to its electron-withdrawing groups, which facilitate nucleophilic substitution and other transformations. Its structural features make it useful in the development of agrochemicals, specialty chemicals, and active pharmaceutical ingredients (APIs). The compound exhibits strong thermal and chemical resistance, ensuring reliability in demanding applications. Its precise functionalization allows for tailored modifications, making it a versatile building block in advanced chemical synthesis.
BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL)- structure
871254-75-0 structure
Product Name:BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL)-
CAS No:871254-75-0
MF:C8H3Cl2F3O2
MW:259.009431123734
CID:3386493
Update Time:2025-10-31

BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL)- Chemical and Physical Properties

Names and Identifiers

    • BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL)-
    • PMCGMDADUWNMML-UHFFFAOYSA-N
    • Inchi: 1S/C8H3Cl2F3O2/c9-3-1-4(7(14)15)6(5(10)2-3)8(11,12)13/h1-2H,(H,14,15)
    • InChI Key: PMCGMDADUWNMML-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC(Cl)=CC(Cl)=C1C(F)(F)F

BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL)- Pricemore >>

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Additional information on BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL)-

Introduction to BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) (CAS No. 871254-75-0)

BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) (CAS No. 871254-75-0) is a highly specialized organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound, characterized by its unique structural motifs, exhibits a range of properties that make it a valuable intermediate in the synthesis of various biologically active molecules.

The molecular structure of BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) consists of a benzene ring substituted with three functional groups: two chlorine atoms at the 3rd and 5th positions, and a trifluoromethyl group at the 2nd position. This specific arrangement imparts distinct electronic and steric properties to the molecule, which are critical for its utility in synthetic chemistry. The presence of electron-withdrawing groups such as chlorine and trifluoromethyl enhances the electrophilicity of the benzene ring, making it more susceptible to nucleophilic attack. This feature is particularly useful in constructing complex molecular architectures.

In recent years, BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) has been extensively studied for its potential applications in drug discovery and development. Its structural features make it an excellent candidate for designing novel therapeutic agents with improved pharmacokinetic properties. For instance, the trifluoromethyl group is known to enhance metabolic stability and binding affinity to biological targets, which are crucial factors in drug design.

One of the most compelling aspects of this compound is its role as a key intermediate in the synthesis of various heterocyclic compounds. Heterocyclic structures are prevalent in many pharmacologically active molecules due to their ability to mimic natural biomolecules and interact with biological systems effectively. The chlorine and trifluoromethyl substituents on the benzene ring facilitate further functionalization through cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions are widely used in pharmaceutical synthesis to construct complex carbon-carbon bonds.

Recent studies have highlighted the utility of BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) in developing novel agrochemicals. The structural motifs present in this compound contribute to its efficacy as a precursor for herbicides and pesticides. The electron-withdrawing nature of the substituents enhances the bioactivity of derived compounds, making them more effective against target pests while maintaining environmental safety.

The synthesis of BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) involves multi-step organic transformations that require precise control over reaction conditions. Advanced synthetic methodologies such as palladium-catalyzed cross-coupling reactions and fluorination techniques are commonly employed to achieve high yields and purity. These synthetic strategies not only highlight the compound's complexity but also underscore its importance in modern organic chemistry.

In addition to its synthetic utility, BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) has been explored for its potential applications in materials science. The unique electronic properties of this compound make it a candidate for developing advanced materials with tailored optoelectronic characteristics. For instance, derivatives of this molecule have been investigated for their use in organic light-emitting diodes (OLEDs) and photovoltaic devices due to their ability to absorb light across a broad spectrum.

The pharmaceutical industry has also leveraged the structural diversity of BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) to develop novel therapeutic agents targeting various diseases. Researchers have synthesized analogs of this compound that exhibit potent anti-inflammatory, antiviral, and anticancer activities. These studies underscore the compound's versatility and its potential as a scaffold for drug discovery programs.

The environmental impact of using BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) as an intermediate has been carefully evaluated. While its high reactivity makes it a valuable tool in synthetic chemistry, it is essential to ensure that its use does not lead to environmental contamination. Responsible handling and disposal practices are crucial to mitigate any potential risks associated with this compound.

In conclusion, BENZOIC ACID, 3,5-DICHLORO-2-(TRIFLUOROMETHYL) (CAS No. 871254-75-0) is a multifaceted compound with significant applications in pharmaceuticals, agrochemicals, and materials science. Its unique structural features make it an indispensable tool in synthetic chemistry, enabling the development of novel biologically active molecules with improved properties. As research continues to uncover new applications for this compound, its importance in advancing scientific innovation is likely to grow even further.

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