Cas no 208108-76-3 (4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid)

4-Phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid is a fluorinated thiophene derivative with a phenyl substituent, offering unique reactivity and stability due to its trifluoromethyl group. This compound serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, where the trifluoromethyl moiety enhances lipophilicity and metabolic stability. The carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, or other conjugates. Its rigid thiophene core contributes to structural diversity in heterocyclic chemistry. The compound is particularly valuable in the development of bioactive molecules, where its electronic and steric properties can influence binding affinity and selectivity. Suitable for use in medicinal chemistry and material science applications.
4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid structure
208108-76-3 structure
Product Name:4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid
CAS No:208108-76-3
MF:C12H7F3O2S
MW:272.242992639542
MDL:MFCD00113429
CID:252895
PubChem ID:2783372
Update Time:2025-06-12

4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylicacid, 4-phenyl-5-(trifluoromethyl)-
    • 4-Phenyl-5-(trifluoromethyl)-thiophene-2-carboxylic acid
    • 4-PHENYL-5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLIC ACID
    • 5-trifluoromethyl-4-phenyl-thiophene-2-carboxylic acid
    • HMS1449K04
    • 4-phenyl-5-(trifluoromethyl)-2-thiophene carboxylic acid
    • PS-11066
    • SCHEMBL404394
    • MFCD00113429
    • CS-0314204
    • IDI1_017947
    • 4-Phenyl-5-trifluoromethylthiophene-2-carboxylic acid
    • AKOS022938555
    • 208108-76-3
    • Maybridge3_006560
    • 4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid
    • FT-0600697
    • 4-phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid
    • BRD-K10706796-001-01-1
    • A814930
    • 2-Thiophenecarboxylic acid, 4-phenyl-5-(trifluoromethyl)-
    • C80086
    • DTXSID00382616
    • 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid, AldrichCPR
    • DB-008881
    • 4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid
    • MDL: MFCD00113429
    • Inchi: 1S/C12H7F3O2S/c13-12(14,15)10-8(6-9(18-10)11(16)17)7-4-2-1-3-5-7/h1-6H,(H,16,17)
    • InChI Key: GIUAGKGTDDIMHB-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC(C2C=CC=CC=2)=C1C(F)(F)F

Computed Properties

  • Exact Mass: 272.01200
  • Monoisotopic Mass: 272.012
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 313
  • 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
  • Topological Polar Surface Area: 65.5A^2
  • XLogP3: 4

Experimental Properties

  • Density: 1.431
  • Melting Point: 130 °C
  • Boiling Point: 366.5°C at 760 mmHg
  • Flash Point: 175.5°C
  • Refractive Index: 1.555
  • PSA: 65.54000
  • LogP: 4.13210

4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: Xi

4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid Related Literature

Additional information on 4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid

Comprehensive Overview of 4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid (CAS No. 208108-76-3)

4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid (CAS No. 208108-76-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound belongs to the thiophene carboxylic acid family, characterized by a phenyl group at the 4-position and a trifluoromethyl group at the 5-position of the thiophene ring. Its molecular formula is C12H7F3O2S, and it exhibits a molecular weight of 272.24 g/mol. The presence of the trifluoromethyl moiety enhances its lipophilicity, making it a valuable intermediate in drug discovery and material science.

The compound's CAS No. 208108-76-3 is frequently searched in academic and industrial databases, reflecting its relevance in modern synthetic chemistry. Researchers are particularly interested in its potential applications as a building block for heterocyclic compounds, which are pivotal in designing bioactive molecules. Recent studies highlight its utility in developing antimicrobial agents and anti-inflammatory drugs, aligning with the growing demand for novel therapeutics. Additionally, its thiophene core structure is a hotspot for organic electronics, such as OLEDs and conductive polymers, addressing the surge in sustainable material innovations.

One of the most searched questions related to 4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid revolves around its synthesis methods. The compound is typically synthesized via palladium-catalyzed cross-coupling reactions or multicomponent reactions, which are efficient and scalable. Another trending topic is its solubility and stability under various conditions, critical for formulation scientists. The trifluoromethyl group also sparks curiosity due to its role in improving metabolic stability, a key factor in drug design.

From an SEO perspective, keywords like "thiophene derivatives", "trifluoromethyl compounds", and "carboxylic acid applications" are highly relevant. These terms align with user queries on platforms like Google Scholar and PubChem, where professionals seek data on structure-activity relationships (SAR) and patent literature. The compound's versatility also ties into broader discussions on green chemistry, as researchers explore eco-friendly synthesis routes to minimize waste.

In summary, 4-Phenyl-5-(Trifluoromethyl)Thiophene-2-Carboxylic Acid (CAS No. 208108-76-3) is a multifaceted compound with expanding applications in pharmaceuticals, agrochemicals, and advanced materials. Its unique structural features and functional groups make it a subject of ongoing research, particularly in addressing global challenges like drug resistance and sustainable technology. As interest grows, so does the need for detailed technical data, positioning this compound as a cornerstone in modern chemical innovation.

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