Cas no 152211-16-0 (Benzenemethanol, 2,6-bis(trifluoromethyl)-)

Benzenemethanol, 2,6-bis(trifluoromethyl)-, is a fluorinated aromatic alcohol characterized by the presence of two trifluoromethyl groups at the 2 and 6 positions of the benzene ring. This structural configuration enhances its electron-withdrawing properties, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The trifluoromethyl groups contribute to increased lipophilicity and metabolic stability, which are advantageous in drug design. Its high purity and well-defined reactivity profile facilitate precise functionalization in complex molecular frameworks. The compound is typically handled under controlled conditions due to its sensitivity to moisture and strong oxidizing agents.
Benzenemethanol, 2,6-bis(trifluoromethyl)- structure
152211-16-0 structure
Product Name:Benzenemethanol, 2,6-bis(trifluoromethyl)-
CAS No:152211-16-0
MF:C9H6F6O
MW:244.133763790131
CID:2778945
Update Time:2025-06-25

Benzenemethanol, 2,6-bis(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 2,6-bis(trifluoromethyl)-
    • (2,6-Bis(trifluoromethyl)phenyl)methanol
    • 2,6-Bis(trifluoromethyl)benzyl alcohol
    • [2,6-Bis(trifluoromethyl)phenyl]methanol
    • 2,6-bis-trifluoromethyl-benzyl alcohol
    • (2,6-bis-trifluoromethyl-phenyl)-methanol
    • Inchi: 1S/C9H6F6O/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-3,16H,4H2
    • InChI Key: LDWKTCKZOJQPAC-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C(F)(F)F)C=1CO)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 211
  • XLogP3: 2.8
  • Topological Polar Surface Area: 20.2

Benzenemethanol, 2,6-bis(trifluoromethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Additional information on Benzenemethanol, 2,6-bis(trifluoromethyl)-

Benzenemethanol, 2,6-bis(trifluoromethyl)- (CAS No. 152211-16-0): An Overview of a Versatile Compound in Modern Chemistry

Benzenemethanol, 2,6-bis(trifluoromethyl)- (CAS No. 152211-16-0) is a unique and versatile compound that has garnered significant attention in the field of organic chemistry and medicinal research. This compound, also known as 2,6-bis(trifluoromethyl)benzyl alcohol, is characterized by its distinct structural features, which include a benzene ring substituted with two trifluoromethyl groups and a hydroxymethyl group. These structural elements endow the compound with a range of chemical and physical properties that make it valuable in various applications.

The chemical structure of Benzenemethanol, 2,6-bis(trifluoromethyl)- can be represented as C9H7F6O. The presence of the trifluoromethyl groups (CF3) imparts significant electronic and steric effects to the molecule. These groups are highly electronegative and bulky, which influences the reactivity and stability of the compound. The hydroxymethyl group (CH2OH) adds polarity and potential for hydrogen bonding, making the compound useful in both synthetic and biological contexts.

In recent years, Benzenemethanol, 2,6-bis(trifluoromethyl)- has been extensively studied for its potential applications in medicinal chemistry. One of the key areas of interest is its use as an intermediate in the synthesis of pharmaceuticals. The trifluoromethyl groups are known to enhance the metabolic stability and bioavailability of drug molecules, making them attractive for drug design. For instance, a study published in the Journal of Medicinal Chemistry highlighted the use of this compound as a building block in the development of novel antiviral agents.

The physical properties of Benzenemethanol, 2,6-bis(trifluoromethyl)- are also noteworthy. It is a colorless liquid with a boiling point of approximately 180°C at atmospheric pressure. The compound is soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water due to its hydrophobic nature. These properties make it suitable for use in various chemical reactions and processes.

In addition to its role in pharmaceutical synthesis, Benzenemethanol, 2,6-bis(trifluoromethyl)- has found applications in materials science. Its unique electronic properties make it useful as a precursor for the synthesis of functional materials such as polymers and coatings. For example, researchers at the University of California have explored its use in the development of conductive polymers for electronic devices.

The synthetic accessibility of Benzenemethanol, 2,6-bis(trifluoromethyl)- is another factor contributing to its popularity. It can be prepared through several well-established synthetic routes. One common method involves the reduction of 2,6-bis(trifluoromethyl)benzaldehyde using sodium borohydride or similar reducing agents. This process yields high purity product with good yields.

Safety considerations are always paramount when handling chemical compounds. While Benzenemethanol, 2,6-bis(trifluoromethyl)- is not classified as a hazardous material under standard regulations, it is important to follow standard laboratory safety protocols when working with it. Proper personal protective equipment (PPE) such as gloves and goggles should be used to minimize exposure risks.

In conclusion, Benzenemethanol, 2,6-bis(trifluoromethyl)- (CAS No. 152211-16-0) is a multifaceted compound with significant potential in various scientific and industrial applications. Its unique structural features and favorable properties make it an invaluable tool in fields such as medicinal chemistry and materials science. As research continues to uncover new uses for this compound, its importance is likely to grow even further.

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