Cas no 261952-13-0 (2-Methyl-5-(trifluoromethyl)benzyl alcohol)

2-Methyl-5-(trifluoromethyl)benzyl alcohol is a fluorinated aromatic alcohol with the molecular formula C9H9F3O. This compound features a benzyl alcohol core substituted with a methyl group at the 2-position and a trifluoromethyl group at the 5-position, enhancing its electron-withdrawing properties and chemical stability. The presence of the trifluoromethyl group improves lipophilicity, making it valuable in pharmaceutical and agrochemical synthesis. Its reactive hydroxyl group allows for further functionalization, enabling applications in intermediates for drug development or specialty chemicals. The compound exhibits good solubility in common organic solvents, facilitating its use in synthetic workflows. Care should be taken due to potential sensitivity to oxidation.
2-Methyl-5-(trifluoromethyl)benzyl alcohol structure
261952-13-0 structure
Product Name:2-Methyl-5-(trifluoromethyl)benzyl alcohol
CAS No:261952-13-0
MF:C9H9F3O
MW:190.162373304367
MDL:MFCD01631604
CID:852294
PubChem ID:2775611
Update Time:2025-10-28

2-Methyl-5-(trifluoromethyl)benzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-5-(trifluoromethyl)benzyl alcohol
    • MDL: MFCD01631604
    • Inchi: 1S/C9H9F3O/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-4,13H,5H2,1H3
    • InChI Key: ZWDCFSFHZBKBMZ-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(C)=C(CO)C=1)(F)F

Computed Properties

  • Exact Mass: 190.06054939g/mol
  • Monoisotopic Mass: 190.06054939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 167
  • 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: 2.3
  • Topological Polar Surface Area: 20.2?2

2-Methyl-5-(trifluoromethyl)benzyl alcohol Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

2-Methyl-5-(trifluoromethyl)benzyl alcohol Pricemore >>

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Additional information on 2-Methyl-5-(trifluoromethyl)benzyl alcohol

2-Methyl-5-(trifluoromethyl)benzyl Alcohol: A Comprehensive Overview

The compound 2-Methyl-5-(trifluoromethyl)benzyl Alcohol, identified by the CAS number 261952-13-0, is a highly specialized organic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and advanced materials. This compound is characterized by its unique structure, which combines a methyl group and a trifluoromethyl group attached to a benzene ring, with a hydroxymethyl group (CH?OH) as the functional moiety. The presence of these substituents imparts distinctive chemical and physical properties, making it an intriguing subject for both academic research and industrial applications.

Recent studies have highlighted the importance of fluorinated aromatic compounds like 2-Methyl-5-(trifluoromethyl)benzyl Alcohol in drug discovery. The trifluoromethyl group is known to enhance the lipophilicity and stability of molecules, which are critical factors in designing bioactive compounds. For instance, researchers have explored the potential of this compound as a precursor for synthesizing novel antiviral agents and anticancer drugs. Its ability to undergo various chemical transformations, such as oxidation, reduction, and coupling reactions, further underscores its versatility in synthetic chemistry.

The synthesis of 2-Methyl-5-(trifluoromethyl)benzyl Alcohol typically involves multi-step processes that require precise control over reaction conditions. One common approach is the Friedel-Crafts alkylation or acylation followed by hydrolysis or reduction steps. The introduction of the trifluoromethyl group often necessitates the use of electrophilic fluorination techniques or pre-synthesized trifluoromethyl-containing intermediates. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing production costs and minimizing waste.

In terms of physical properties, 2-Methyl-5-(trifluoromethyl)benzyl Alcohol exhibits a melting point of approximately -40°C and a boiling point around 180°C under standard conditions. Its solubility in common solvents such as water, ethanol, and dichloromethane is moderate, making it suitable for various laboratory and industrial processes. The compound's stability under normal storage conditions is excellent; however, it may degrade under harsh oxidative or acidic conditions.

The applications of 2-Methyl-5-(trifluoromethyl)benzyl Alcohol span across multiple industries. In the pharmaceutical sector, it serves as an intermediate in the synthesis of complex molecules with therapeutic potential. For example, its derivatives have been investigated for their ability to inhibit enzyme activity associated with neurodegenerative diseases such as Alzheimer's and Parkinson's. In the agrochemical industry, this compound has been utilized in the development of herbicides and insecticides, where its fluorinated structure contributes to enhanced efficacy and reduced environmental impact.

From an environmental perspective, understanding the fate and toxicity of 2-Methyl-5-(trifluoromethyl)benzyl Alcohol is crucial for ensuring sustainable practices. Recent toxicological studies have demonstrated that this compound exhibits low acute toxicity in standard assays; however, chronic exposure effects require further investigation. Regulatory bodies have implemented guidelines to monitor its use and disposal to minimize risks to human health and ecosystems.

In conclusion, 2-Methyl-5-(trifluoromethyl)benzyl Alcohol (CAS No: 261952-13-0) stands out as a versatile and valuable compound with diverse applications across multiple disciplines. Its unique chemical structure, coupled with advancements in synthetic methodologies and application development, positions it as a key player in modern chemical research and industry. As ongoing research continues to uncover new potentials for this compound, its role in shaping future innovations remains promising.

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