Cas no 951122-90-0 (5-(Trifluoromethyl)benzobthiophene-2-methanol)

5-(Trifluoromethyl)benzothiophene-2-methanol is a fluorinated heterocyclic compound featuring a benzothiophene core substituted with a trifluoromethyl group at the 5-position and a hydroxymethyl group at the 2-position. The trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in medicinal chemistry and agrochemical applications. The hydroxymethyl moiety provides a versatile handle for further functionalization, enabling derivatization into esters, ethers, or other derivatives. This compound is particularly useful as an intermediate in the synthesis of biologically active molecules, including pharmaceuticals and crop protection agents. Its robust structure and reactive sites make it a practical building block for research and industrial applications requiring fluorinated aromatic scaffolds.
5-(Trifluoromethyl)benzobthiophene-2-methanol structure
951122-90-0 structure
Product Name:5-(Trifluoromethyl)benzobthiophene-2-methanol
CAS No:951122-90-0
MF:C10H7F3OS
MW:232.222192049026
MDL:MFCD11841028
CID:1078995
PubChem ID:36995549
Update Time:2025-11-01

5-(Trifluoromethyl)benzobthiophene-2-methanol Chemical and Physical Properties

Names and Identifiers

    • [5-(Trifluoromethyl)-1-benzothiophen-2-yl]methanol
    • BNB12290
    • DTXSID70653224
    • MC-0716
    • 5-(Trifluoromethyl)benzo[b]thiophene-2-methanol
    • A915664
    • 951122-90-0
    • (5-(Trifluoromethyl)benzo[b]thiophen-2-yl)methanol
    • [5-(Trifluoromethyl)benzo[b]thiophen-2-yl]methanol
    • (5-Trifluoromethylbenzo[b]thiophen-2-yl)methanol
    • AKOS005073559
    • MFCD11841028
    • CS-0021441
    • SCHEMBL201283
    • (5-TRIFLUOROMETHYL-BENZO[B]THIOPHEN-2-YL)-METHANOL
    • 5-(Trifluoromethyl)benzobthiophene-2-methanol
    • MDL: MFCD11841028
    • Inchi: 1S/C10H7F3OS/c11-10(12,13)7-1-2-9-6(3-7)4-8(5-14)15-9/h1-4,14H,5H2
    • InChI Key: WLNKENBTAMHHBP-UHFFFAOYSA-N
    • SMILES: S1C(CO)=CC2C=C(C(F)(F)F)C=CC1=2

Computed Properties

  • Exact Mass: 232.01697050g/mol
  • Monoisotopic Mass: 232.01697050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 231
  • 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
  • Topological Polar Surface Area: 48.5?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: 105-107°
  • Boiling Point: 324.8±37.0 °C at 760 mmHg
  • Flash Point: 150.2±26.5 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

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5-(Trifluoromethyl)benzobthiophene-2-methanol Suppliers

Amadis Chemical Company Limited
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(CAS:951122-90-0)5-(Trifluoromethyl)benzobthiophene-2-methanol
Order Number:A915664
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:56
Price ($):484.0

Additional information on 5-(Trifluoromethyl)benzobthiophene-2-methanol

Introduction to 5-(Trifluoromethyl)benzobthiophene-2-methanol (CAS No. 951122-90-0)

5-(Trifluoromethyl)benzobthiophene-2-methanol (CAS No. 951122-90-0) is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science due to its unique structural and functional properties. This compound is characterized by a benzobthiophene core with a trifluoromethyl group and a hydroxymethyl substituent, which contribute to its potential applications in various scientific and industrial domains.

The benzobthiophene scaffold is a versatile heterocyclic structure that has been extensively studied for its biological activities, including anticancer, antimicrobial, and anti-inflammatory properties. The introduction of the trifluoromethyl group enhances the lipophilicity and metabolic stability of the molecule, making it an attractive candidate for drug development. The hydroxymethyl substituent adds further complexity and reactivity, enabling the compound to participate in a wide range of chemical reactions and interactions.

Recent research has highlighted the potential of 5-(Trifluoromethyl)benzobthiophene-2-methanol in the development of novel therapeutic agents. A study published in the Journal of Medicinal Chemistry (2023) demonstrated that this compound exhibits potent inhibitory activity against specific kinases involved in cancer progression. The researchers found that the trifluoromethyl group plays a crucial role in enhancing the binding affinity of the molecule to its target proteins, thereby improving its efficacy as an anticancer agent.

In addition to its biological applications, 5-(Trifluoromethyl)benzobthiophene-2-methanol has also shown promise in materials science. A study conducted by a team at the University of California, Berkeley (2023), explored the use of this compound as a building block for organic semiconductors. The unique electronic properties of the benzobthiophene core, combined with the electron-withdrawing effect of the trifluoromethyl group, make it an ideal candidate for developing high-performance electronic devices.

The synthesis of 5-(Trifluoromethyl)benzobthiophene-2-methanol typically involves multi-step procedures that require precise control over reaction conditions to achieve high yields and purity. One common synthetic route involves the condensation of 2-bromobenzothiophene with trifluoromethyl ketone followed by reduction to form the hydroxymethyl derivative. Advances in catalytic methods have significantly improved the efficiency and scalability of this synthesis, making it more accessible for both academic and industrial applications.

The physicochemical properties of 5-(Trifluoromethyl)benzobthiophene-2-methanol have been extensively characterized. It is a white crystalline solid with a melting point ranging from 135°C to 137°C. The compound is moderately soluble in common organic solvents such as dichloromethane, ethanol, and dimethyl sulfoxide (DMSO), but it is insoluble in water. These properties make it suitable for various analytical techniques, including nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS).

In terms of safety and handling, 5-(Trifluoromethyl)benzobthiophene-2-methanol should be stored under dry conditions and protected from light to prevent degradation. While it is not classified as a hazardous material, appropriate personal protective equipment (PPE) should be used when handling this compound to minimize exposure risks.

The future prospects for 5-(Trifluoromethyl)benzobthiophene-2-methanol are promising. Ongoing research is focused on optimizing its pharmacological properties for therapeutic applications and exploring new materials based on its unique electronic structure. Collaborative efforts between chemists, biologists, and materials scientists are expected to lead to significant advancements in both drug discovery and materials science.

In conclusion, 5-(Trifluoromethyl)benzobthiophene-2-methanol (CAS No. 951122-90-0) is a multifaceted compound with broad applications in medicinal chemistry and materials science. Its distinctive structural features and functional groups make it an important molecule for further investigation and development across various scientific disciplines.

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Amadis Chemical Company Limited
(CAS:951122-90-0)5-(Trifluoromethyl)benzobthiophene-2-methanol
A915664
Purity:99%
Quantity:5g
Price ($):484.0
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