Cas no 550998-66-8 (7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid)

7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid is a fluorinated heterocyclic compound featuring a benzothiophene core substituted with a trifluoromethyl group at the 7-position and a carboxylic acid moiety at the 2-position. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality allows for further derivatization. Its high purity and well-defined reactivity profile make it suitable for applications in medicinal chemistry, particularly in the development of bioactive molecules. The compound is typically handled under standard laboratory conditions, ensuring consistent performance in synthetic workflows.
7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid structure
550998-66-8 structure
Product Name:7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid
CAS No:550998-66-8
MF:C10H5F3O2S
MW:246.205712080002
MDL:MFCD09027110
CID:1027358
PubChem ID:17979623
Update Time:2025-05-23

7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid
    • 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid
    • AGN-PC-01NH91
    • ANW-55220
    • CTK7I7428
    • SBB100111
    • SureCN2892808
    • MFCD09027110
    • 7-(Trifluoromethyl)benzo[b]thiophene-2-carboxylicacid
    • SCHEMBL2892808
    • E84178
    • AKOS005072571
    • J-519052
    • CS-0313983
    • 7-(trifluoromethyl)benzo [b]thiophene-2-carboxylic acid
    • 7-Trifluoromethyl-benzo[b]thiophene-2-carboxylic acid
    • GA-0950
    • ZAKLURALPFCOEH-UHFFFAOYSA-N
    • DB-296684
    • EN300-11177886
    • 550998-66-8
    • AXA99866
    • DTXSID30591890
    • A924123
    • 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid
    • MDL: MFCD09027110
    • Inchi: 1S/C10H5F3O2S/c11-10(12,13)6-3-1-2-5-4-7(9(14)15)16-8(5)6/h1-4H,(H,14,15)
    • InChI Key: ZAKLURALPFCOEH-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC2C=CC=C(C(F)(F)F)C1=2

Computed Properties

  • Exact Mass: 245.99625
  • Monoisotopic Mass: 245.99623506g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 292
  • 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: 3.7
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Melting Point: 191-195
  • PSA: 37.3

7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid Security Information

  • Hazard Statement: Irritant
  • Storage Condition:Sealed in dry,2-8°C

7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid Pricemore >>

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Additional information on 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid

7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid: A Comprehensive Overview

7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid (CAS No. 550998-66-8) is a highly specialized organic compound with significant potential in various chemical and pharmaceutical applications. This compound, characterized by its unique structure, has garnered attention in recent years due to its versatile properties and promising research outcomes. In this article, we will delve into the structural features, synthesis methods, applications, and the latest advancements associated with 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid.

The molecular structure of 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid is notable for its benzothiophene ring system, which serves as a foundational framework for various chemical reactions. The trifluoromethyl group attached at the 7-position introduces unique electronic and steric properties, enhancing the compound's reactivity and stability. This makes it an ideal candidate for use in advanced materials science and drug discovery.

Recent studies have highlighted the importance of benzothiophene derivatives in the development of novel pharmaceutical agents. For instance, researchers have explored the potential of 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid as a precursor for creating bioactive molecules with anti-inflammatory and antioxidant properties. These findings underscore the compound's role in advancing therapeutic interventions.

In terms of synthesis, 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid can be prepared through a variety of methodologies, including oxidative coupling and Friedel-Crafts alkylation. The choice of synthesis route often depends on the desired purity and scalability of the process. Recent advancements in catalytic systems have further streamlined these procedures, making large-scale production more feasible.

The application of 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid extends beyond pharmaceuticals. It has been utilized in the development of advanced materials such as high-performance polymers and optoelectronic devices. Its ability to form stable metal complexes has also made it a valuable component in catalysis research.

Moreover, the environmental impact of 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid has been a topic of interest among researchers. Studies indicate that its degradation pathways under various conditions are efficient, reducing concerns about long-term environmental persistence.

In conclusion, 7-(Trifluoromethyl)-1-benzothiophene-2-carboxylic Acid (CAS No. 550998-66-8) stands out as a multifaceted compound with diverse applications across multiple disciplines. Its structural uniqueness, coupled with recent research breakthroughs, positions it as a key player in future innovations within chemistry and pharmacology.

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