Cas no 162651-07-2 (2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid)

2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is a versatile heterocyclic compound featuring a bromo-substituted thiazole core with a trifluoromethyl group and a carboxylic acid functionality. Its unique structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of bioactive molecules. The presence of both bromine and trifluoromethyl groups enhances reactivity, enabling selective functionalization, while the carboxylic acid moiety allows for further derivatization. This compound is particularly useful in cross-coupling reactions and as a building block for medicinal chemistry applications. Its stability and well-defined reactivity profile make it a reliable choice for research and industrial applications requiring precise molecular modifications.
2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid structure
162651-07-2 structure
Product Name:2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid
CAS No:162651-07-2
MF:C5HBrF3NO2S
MW:276.031149625778
MDL:MFCD09264552
CID:1005307
PubChem ID:22337512
Update Time:2025-11-04

2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4-(trifluoromethyl)thiazole-5-carboxylic acid
    • 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
    • 2-bromo-4-(trifluoromethyl)-5-Thiazolecarboxylic acid
    • 2-Bromo-4-trifluoromethyl-1,3-thiazole-5-carboxylic acid
    • C5HBrF3NO2S
    • 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxy
    • TRA0010795
    • SY004496
    • AB0052012
    • AB1000129
    • BB 0260391
    • V3634
    • ST24027826
    • K-5
    • 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid
    • MDL: MFCD09264552
    • Inchi: 1S/C5HBrF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
    • InChI Key: KDDAZSADIUMSBH-UHFFFAOYSA-N
    • SMILES: BrC1=NC(C(F)(F)F)=C(C(=O)O)S1

Computed Properties

  • Exact Mass: 274.88600
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • Topological Polar Surface Area: 78.4

Experimental Properties

  • Melting Point: 130-132
  • Flash Point: 150.927℃
  • PSA: 78.43000
  • LogP: 2.62260

2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid

Comprehensive Overview of 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid (CAS No. 162651-07-2)

2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid (CAS No. 162651-07-2) is a highly specialized organic compound that has garnered significant attention in the fields of pharmaceutical research, agrochemical development, and material science. This compound, characterized by its unique thiazole ring structure and functional groups, serves as a versatile building block for synthesizing more complex molecules. Its molecular formula, C5H2BrF3NO2S, highlights the presence of bromo and trifluoromethyl substituents, which are critical for its reactivity and applications.

In recent years, the demand for 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid has surged due to its role in the development of novel heterocyclic compounds. Researchers are particularly interested in its potential as a precursor for bioactive molecules, including antimicrobial and antiviral agents. The trifluoromethyl group enhances the compound's lipophilicity, making it a valuable candidate for drug design, especially in the context of central nervous system (CNS) therapeutics. This aligns with the growing trend of targeting neurological disorders, a hot topic in modern pharmacology.

From an industrial perspective, 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid is also pivotal in the synthesis of agrochemicals. Its incorporation into pesticides and herbicides has been explored due to its ability to improve the efficacy and selectivity of these products. With the global push toward sustainable agriculture, this compound's role in developing environmentally friendly crop protection solutions cannot be overstated. Searches for "green agrochemicals" and "thiazole derivatives in agriculture" have spiked, reflecting this trend.

The compound's thiazole core is another area of interest, as it is a common motif in many natural products and synthetic drugs. Its electron-withdrawing properties, combined with the bromine atom's reactivity, make it a valuable intermediate in cross-coupling reactions, such as Suzuki and Stille couplings. These reactions are fundamental in constructing complex molecular architectures, a topic frequently searched by organic chemists and students alike.

In material science, 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid has shown promise in the development of organic electronic materials. Its ability to modulate electronic properties makes it a candidate for use in OLEDs (organic light-emitting diodes) and photovoltaic cells. As the world shifts toward renewable energy, queries about "organic semiconductors" and "thiazole-based materials" have become increasingly common, underscoring the compound's relevance.

Safety and handling of 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid are also critical considerations. While it is not classified as a hazardous material, proper laboratory practices, including the use of personal protective equipment (PPE) and adequate ventilation, are recommended. This aligns with the broader discourse on "lab safety best practices" and "chemical handling guidelines," which are frequently searched by professionals and students.

In summary, 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid (CAS No. 162651-07-2) is a multifaceted compound with applications spanning pharmaceuticals, agrochemicals, and advanced materials. Its unique structural features and reactivity profile make it a subject of ongoing research and industrial interest. As scientific inquiries continue to evolve, this compound will likely remain at the forefront of innovation in its respective fields.

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