Cas no 346-06-5 (2-(Trifluoromethyl)benzyl alcohol)

2-(Trifluoromethyl)benzyl alcohol is a fluorinated aromatic alcohol with the molecular formula C?H?F?O. This compound features a benzyl alcohol group substituted with a trifluoromethyl moiety at the ortho position, enhancing its electron-withdrawing properties and chemical stability. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of the trifluoromethyl group imparts increased lipophilicity and metabolic stability, making it valuable in drug design. Its reactivity allows for further functionalization, including oxidation, esterification, or nucleophilic substitution. The compound is typically handled under standard laboratory conditions, requiring protection from moisture and strong oxidizers.
2-(Trifluoromethyl)benzyl alcohol structure
346-06-5 structure
Product Name:2-(Trifluoromethyl)benzyl alcohol
CAS No:346-06-5
MF:C8H7F3O
MW:176.135792970657
MDL:MFCD00004621
CID:36958
PubChem ID:87577082
Update Time:2025-08-05

2-(Trifluoromethyl)benzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • (2-(Trifluoromethyl)phenyl)methanol
    • 2-(TRIFLUOROMETHYL)BENZYL ALCOHOL
    • [2-(trifluoromethyl)phenyl]methanol
    • o-(Trifluoromethyl)benzyl alcohol
    • o-Trifluoromethylbenzyl alcohol
    • q1r bxfff
    • Benzylalcohol, o-(trifluoromethyl)- (6CI,7CI,8CI)
    • (2-Trifluoromethylphenyl)methanol
    • 2-Trifluorobenzyl alcohol
    • 2-(trifluoromethyl)benzylalcohol
    • 2-(Trifluoromethyl)benzylic alcohol
    • Benzenemethanol, 2-(trifluoromethyl)-
    • 2-trifluoromethylbenzyl alcohol
    • TWQNSHZTQSLJEE-UHFFFAOYSA-N
    • [2-(trifluoromethyl)phenyl]methan-1-ol
    • PubChem7210
    • KSC493M3B
    • 2-trifluoromethyl benzyl alcohol
    • 2-(Trifluromethy
    • 2-(Trifluromethyl)benzyl alcohol
    • SCHEMBL44837
    • SY016153
    • TWQNSHZTQSLJEE-UHFFFAOYSA-
    • J-019678
    • EINECS 206-467-9
    • CHEBI:195111
    • (2-Trifluoromethyl-phenyl)-methanol;Benzenemethanol, 2-(trifluoromethyl)-
    • 2-(Trifluoromethyl)benzyl alcohol, 97%
    • InChI=1/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
    • MFCD00004621
    • NS00041662
    • DTXSID10188166
    • AKOS000249422
    • Z335244766
    • 2-(Trifluoromethyl)benzenemethanol
    • KUGVZPYBBLGUBQ-UHFFFAOYSA-N
    • PS-8590
    • 346-06-5
    • CS-W001960
    • A22542
    • [2-(Trifluoromethyl)phenyl]methanol #
    • EN300-49135
    • [2-(triluoromethyl)phenyl]methanol
    • FT-0608963
    • AM62584
    • (2-trifluoromethyl-phenyl)-methanol
    • T1311
    • AC-9761
    • DB-019565
    • 206-467-9
    • DTXCID40110657
    • 2-(Trifluoromethyl)benzyl alcohol
    • MDL: MFCD00004621
    • Inchi: 1S/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
    • InChI Key: TWQNSHZTQSLJEE-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1CO)(F)F
    • BRN: 2093714

Computed Properties

  • Exact Mass: 176.04500
  • Monoisotopic Mass: 176.04489933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 144
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.9
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.326?g/mL?at 25?°C(lit.)
  • Melting Point: 4°C
  • Boiling Point: 70°C/3mmHg
  • Flash Point: Fahrenheit: 197.6 ° f < br / > Celsius: 92 ° C < br / >
  • Refractive Index: n20/D 1.468(lit.)
  • PSA: 20.23000
  • LogP: 2.19770
  • Solubility: Not available

2-(Trifluoromethyl)benzyl alcohol Security Information

2-(Trifluoromethyl)benzyl alcohol Customs Data

  • HS CODE:2906299090
  • Customs Data:

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

2-(Trifluoromethyl)benzyl alcohol Pricemore >>

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Fluorochem
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2-(Trifluoromethyl)benzyl alcohol Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:346-06-5)2-三氟甲基苯甲醇
Order Number:LE1674577
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:32
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:346-06-5)2-(Trifluoromethyl)benzyl alcohol
Order Number:1674577
Stock Status:in Stock
Quantity:Company Customization
Purity:98%
Pricing Information Last Updated:Monday, 14 April 2025 18:12
Price ($):discuss personally

Additional information on 2-(Trifluoromethyl)benzyl alcohol

2-(Trifluoromethyl)benzyl Alcohol (CAS No. 346-06-5): A Key Compound in Pharmaceutical and Material Science Applications

2-(Trifluoromethyl)benzyl Alcohol, with the chemical formula C8H9FO3, is a fluorinated aromatic alcohol that has garnered significant attention in recent years due to its unique physicochemical properties and potential applications in pharmaceuticals, materials science, and chemical synthesis. This compound, identified by the CAS No. 346-06-5, is characterized by its trifluoromethyl group attached to a benzyl alcohol scaffold, which imparts distinct reactivity and functional versatility. Recent studies have highlighted its role in the development of novel drug candidates, advanced polymer materials, and green chemistry processes. This article provides an in-depth exploration of the chemical structure, synthesis methods, biological activity, and industrial applications of 2-(Trifluoromethyl)benzyl Alcohol, while emphasizing its relevance in contemporary scientific research.

The 2-(Trifluoromethyl)benzyl Alcohol molecule consists of a benzene ring substituted with a trifluoromethyl group at the para position, connected to a hydroxyl group via a methylene bridge. The introduction of trifluoromethyl groups into aromatic systems is a common strategy in medicinal chemistry to enhance metabolic stability, improve lipophilicity, and modulate biological activity. The fluorine atoms in the trifluoromethyl group contribute to the molecule’s high electron-withdrawing effect, which influences its reactivity and interactions with biological targets. This structural feature also makes the compound a valuable intermediate in the synthesis of fluorinated pharmaceuticals, where fluorine substitution is often associated with improved therapeutic outcomes and reduced side effects.

Recent advancements in synthetic chemistry have enabled the efficient preparation of 2-(Trifluoromethyl)benzyl Alcohol through various methodologies, including electrophilic fluorination, nucleophilic substitution, and transition-metal-catalyzed cross-coupling reactions. A 2023 study published in *Advanced Synthesis & Catalysis* demonstrated the use of a novel photoredox-catalyzed approach to selectively introduce the trifluoromethyl group into aromatic rings, offering a more sustainable and scalable method compared to traditional fluorination techniques. This innovation aligns with the growing emphasis on green chemistry practices in the pharmaceutical industry, where the reduction of hazardous reagents and energy consumption is critical. The development of such synthetic routes underscores the importance of 2-(Trifluoromethyl)benzyl Alcohol as a key building block in the design of next-generation drugs.

One of the most promising applications of 2-(Trifluoromethyl)benzyl Alcohol lies in its potential as a lead compound for the development of anti-inflammatory and antitumor agents. A 2024 study in *Journal of Medicinal Chemistry* reported that derivatives of this compound exhibited significant inhibitory activity against the NF-κB signaling pathway, a key mediator of inflammation and cancer progression. The researchers found that the trifluoromethyl group enhanced the molecule’s ability to bind to specific protein targets, thereby improving its biological efficacy. These findings highlight the versatility of 2-(Trifluoromethyl)benzyl Alcohol in drug discovery, where its fluorinated structure can be tailored to target specific disease mechanisms.

Additionally, 2-(Trifluoromethyl)benzyl Alcohol has shown potential in the field of materials science, particularly in the synthesis of functional polymers and coatings. A 2023 paper in *Macromolecules* described the use of this compound as a monomer in the preparation of fluorinated polyurethanes, which demonstrated superior hydrophobicity and thermal stability compared to conventional materials. The fluorinated surface of the resulting polymers made them suitable for applications in biomedical devices, such as anti-fouling coatings for implants and drug delivery systems. These applications reflect the broader utility of 2-(Trifluoromethyl)benzyl Alcohol beyond its role in pharmaceuticals, underscoring its importance in interdisciplinary research.

From a synthetic perspective, the reactivity of 2-(Trifluoromethyl)benzyl Alcohol is influenced by its functional groups, particularly the hydroxyl and trifluoromethyl moieties. The hydroxyl group can participate in hydrogen bonding interactions, making the compound a useful intermediate in the synthesis of glycosides and other bioactive molecules. Meanwhile, the trifluoromethyl group’s electron-withdrawing nature makes it compatible with a variety of electrophilic and nucleophilic reactions, enabling the construction of complex molecular architectures. This adaptability has led to its incorporation into multi-step organic syntheses, where it serves as a key scaffold for the assembly of pharmacologically relevant compounds.

Environmental and safety considerations are also critical in the application of 2-(Trifluoromethyl)benzyl Alcohol. While fluorinated compounds are often associated with environmental persistence and potential toxicity, recent research has focused on mitigating these risks through the development of biodegradable derivatives and controlled release systems. A 2024 study in *Green Chemistry* explored the use of enzymatic degradation strategies to break down fluorinated compounds, including those derived from 2-(Trifluoromethyl)benzyl Alcohol, into less harmful byproducts. These efforts highlight the importance of balancing the functional benefits of fluorinated molecules with their environmental impact, a challenge that is central to the sustainable development of chemical technologies.

Looking ahead, the future of 2-(Trifluoromethyl)benzyl Alcohol in scientific research is likely to be shaped by advancements in computational chemistry and machine learning. These tools are increasingly being used to predict the reactivity, stability, and biological activity of fluorinated compounds, enabling the rational design of new molecules with optimized properties. For instance, a 2023 study in *Chemical Science* demonstrated how machine learning models could identify novel synthetic pathways for the preparation of 2-(Trifluoromethyl)benzyl Alcohol derivatives, significantly reducing the time and cost associated with traditional trial-and-error approaches. Such innovations are expected to accelerate the discovery of new applications for this compound across various industries.

In conclusion, 2-(Trifluoromethyl)benzyl Alcohol represents a multifaceted compound with significant potential in pharmaceutical, materials science, and chemical synthesis applications. Its unique structure, characterized by the trifluoromethyl group and hydroxyl functionality, makes it a versatile building block for the development of advanced drugs, functional polymers, and sustainable chemical processes. As research continues to uncover new properties and applications of this compound, its role in modern science is likely to expand further, driven by interdisciplinary collaboration and technological innovation.

For researchers and industry professionals seeking to explore the full potential of 2-(Trifluoromethyl)benzyl Alcohol, staying updated with the latest advancements in synthetic methods, biological activity, and environmental considerations is essential. The integration of cutting-edge technologies, such as green chemistry practices and computational modeling, will play a pivotal role in maximizing the benefits of this compound while addressing associated challenges. As the demand for fluorinated compounds in various fields continues to grow, the importance of 2-(Trifluoromethyl)benzyl Alcohol in scientific innovation is set to increase, offering exciting opportunities for future research and development.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:346-06-5)2-三氟甲基苯甲醇
LE1674577
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:346-06-5)2-(Trifluoromethyl)benzyl alcohol
1674577
Purity:98%
Quantity:Company Customization
Price ($):Inquiry
Email