Cas no 886500-21-6 (2-Chloro-6-(trifluoromethyl)benzyl alcohol)

2-Chloro-6-(trifluoromethyl)benzyl alcohol structure
886500-21-6 structure
Product Name:2-Chloro-6-(trifluoromethyl)benzyl alcohol
CAS No:886500-21-6
MF:C8H6ClF3O
MW:210.580852031708
MDL:MFCD00049315
CID:2129374
PubChem ID:17750680
Update Time:2025-07-23

2-Chloro-6-(trifluoromethyl)benzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-6-(trifluoromethyl)benzyl alcohol
    • [2-chloro-6-(trifluoromethyl)phenyl]methanol
    • CS-0194315
    • 2-Chloro-6-(trifluoromethyl)benzenemethanol
    • DTXSID30590641
    • LKB50021
    • SCHEMBL12812210
    • JS-4437
    • MFCD00049315
    • E89362
    • EN300-2007206
    • (2-Chloro-6-(trifluoromethyl)phenyl)methanol
    • AKOS015956735
    • 886500-21-6
    • DA-17891
    • MDL: MFCD00049315
    • Inchi: 1S/C8H6ClF3O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3,13H,4H2
    • InChI Key: AIXZCUCSYPVDQR-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(C(F)(F)F)=C1CO

Computed Properties

  • Exact Mass: 210.0059270g/mol
  • Monoisotopic Mass: 210.0059270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 171
  • 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: 2.5
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 214.2±35.0 °C at 760 mmHg
  • Flash Point: 83.3±25.9 °C
  • Vapor Pressure: 0.1±0.4 mmHg at 25°C

2-Chloro-6-(trifluoromethyl)benzyl alcohol Security Information

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Additional information on 2-Chloro-6-(trifluoromethyl)benzyl alcohol

Professional Introduction to 2-Chloro-6-(trifluoromethyl)benzyl alcohol (CAS No. 886500-21-6)

2-Chloro-6-(trifluoromethyl)benzyl alcohol, identified by its Chemical Abstracts Service (CAS) number 886500-21-6, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, characterized by its chloro and trifluoromethyl substituents on a benzyl alcohol backbone, exhibits unique chemical properties that make it a valuable intermediate in the synthesis of various bioactive molecules.

The structural motif of 2-Chloro-6-(trifluoromethyl)benzyl alcohol consists of a benzene ring substituted with a hydroxymethyl group at the 2-position and a chloro group at the 6-position, with a trifluoromethyl group also attached to the benzene ring. This specific arrangement imparts distinct electronic and steric properties to the molecule, which are highly relevant in drug design and development. The presence of the trifluoromethyl group, in particular, is known to enhance metabolic stability and binding affinity to biological targets, making it a popular choice for medicinal chemists.

In recent years, 2-Chloro-6-(trifluoromethyl)benzyl alcohol has been extensively studied for its potential applications in the synthesis of novel therapeutic agents. Its utility as a building block in constructing more complex molecules has been demonstrated in several high-profile research publications. For instance, studies have shown that derivatives of this compound can serve as effective intermediates in the preparation of kinase inhibitors, which are critical in treating cancers and inflammatory diseases.

One notable application of 2-Chloro-6-(trifluoromethyl)benzyl alcohol is in the development of small-molecule drugs targeting protein-protein interactions. The chloro and trifluoromethyl groups provide excellent handles for further functionalization via cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, enabling the construction of diverse pharmacophores. These reactions are pivotal in generating novel compounds with enhanced pharmacological properties.

The pharmaceutical industry has also explored the use of 2-Chloro-6-(trifluoromethyl)benzyl alcohol in the synthesis of antiviral and antibacterial agents. Its structural features allow for selective interactions with viral proteases and bacterial enzymes, making it a promising candidate for developing new antibiotics and antiviral drugs. Furthermore, its stability under various reaction conditions makes it an ideal candidate for large-scale synthesis, ensuring cost-effective production of active pharmaceutical ingredients (APIs).

Recent advancements in computational chemistry have further highlighted the significance of 2-Chloro-6-(trifluoromethyl)benzyl alcohol in drug discovery. Molecular modeling studies have revealed that this compound can be engineered to optimize binding affinities and selectivity for specific biological targets. By leveraging computational tools, researchers can predict how modifications to the structure of 2-Chloro-6-(trifluoromethyl)benzyl alcohol will affect its biological activity, thereby accelerating the drug development process.

The versatility of 2-Chloro-6-(trifluoromethyl)benzyl alcohol extends beyond its role as an intermediate in synthetic chemistry. It has also been utilized in materials science, where its unique electronic properties make it suitable for developing advanced materials with applications in optoelectronics and catalysis. The combination of its chemical reactivity and physical properties positions this compound as a multifaceted tool across multiple scientific disciplines.

In conclusion, 2-Chloro-6-(trifluoromethyl)benzyl alcohol (CAS No. 886500-21-6) represents a significant advancement in synthetic chemistry and pharmaceutical research. Its structural features and functionalization potential make it an invaluable asset in the development of new drugs targeting various diseases. As research continues to uncover new applications for this compound, its importance is expected to grow further, solidifying its place as a cornerstone in modern chemical biology.

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