Cas no 431-36-7 (1,1,1-Trifluorobutan-2-ol)

1,1,1-Trifluorobutan-2-ol is a fluorinated alcohol with the molecular formula C?H?F?O. Its key structural feature is the presence of a trifluoromethyl group adjacent to a hydroxyl group, which enhances its polarity and reactivity. This compound is valued in synthetic chemistry as a versatile intermediate, particularly in the preparation of fluorinated pharmaceuticals, agrochemicals, and specialty materials. The trifluoromethyl group contributes to increased metabolic stability and lipophilicity, making it useful in drug design. Additionally, its unique electronic properties facilitate selective transformations in organic synthesis. The compound is typically handled under controlled conditions due to its reactivity and potential volatility.
1,1,1-Trifluorobutan-2-ol structure
1,1,1-Trifluorobutan-2-ol structure
Product Name:1,1,1-Trifluorobutan-2-ol
CAS No:431-36-7
MF:C4H7F3O
MW:128.092992067337
MDL:MFCD00462509
CID:324867
PubChem ID:11332471
Update Time:2025-10-20

1,1,1-Trifluorobutan-2-ol Chemical and Physical Properties

Names and Identifiers

    • 2-Butanol,1,1,1-trifluoro-
    • 1,1,1-TRIFLUORO-2-BUTANOL
    • 1,1,1-Trifluor-2-butanol
    • 1,1,1-Trifluor-butan-2-ol
    • 1,1,1-Trifluorobutan-2-ol
    • SY204676
    • rac-1,1,1-trifluoro-butan-2-ol
    • AKOS010909787
    • SCHEMBL469203
    • 431-36-7
    • DTXSID60962892
    • Z838950592
    • MFCD00462509
    • (S)-1,1,1-trifluorobutan-2-ol
    • DBWOCNZCHHFLTR-UHFFFAOYSA-N
    • A826173
    • 1,1,1-Trifluoro-2-butanol, AldrichCPR
    • EN300-226968
    • CS-0205441
    • MDL: MFCD00462509
    • Inchi: 1S/C4H7F3O/c1-2-3(8)4(5,6)7/h3,8H,2H2,1H3
    • InChI Key: IBWNUWSYEJOUAH-UHFFFAOYSA-N
    • SMILES: FC(C(CC)O)(F)F

Computed Properties

  • Exact Mass: 128.04500
  • Monoisotopic Mass: 128.04489933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 68.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.166
  • Boiling Point: 90.8-91.8/752mm
  • Flash Point: 50.9°C
  • Refractive Index: 1.3403
  • PSA: 20.23000
  • LogP: 1.31960

1,1,1-Trifluorobutan-2-ol Security Information

  • Hazard Statement: Flammable
  • Hazardous Material Identification: F

1,1,1-Trifluorobutan-2-ol Pricemore >>

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1,1,1-Trifluorobutan-2-ol Related Literature

Additional information on 1,1,1-Trifluorobutan-2-ol

1,1,1-Trifluorobutan-2-ol (CAS No 431-36-7): A Comprehensive Overview

Introduction to 1,1,1-Trifluorobutan-2-ol (CAS No 431-36-7)

1,1,1-Trifluorobutan-2-ol, also known by its CAS registry number 431-36-7, is a fluorinated alcohol that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a trifluoromethyl group attached to a secondary alcohol. The presence of fluorine atoms imparts distinctive chemical and physical properties to the molecule, making it a valuable compound in various applications. Recent advancements in synthetic methodologies and material science have further highlighted the potential of CAS No 431-36-7 in emerging technologies.

Chemical Structure and Physical Properties

The molecular formula of 1,1,1-Trifluorobutan-2-ol is C4F3OH, with a molecular weight of approximately 98.05 g/mol. The compound features a trifluoromethyl group (-CF3) attached to a butanediol backbone. This structure contributes to its high stability and reactivity under certain conditions. The boiling point of CAS No 431-36-7 is around 55°C, while its melting point is approximately ?95°C, making it suitable for use in various temperature-sensitive applications.

Recent studies have explored the impact of fluorination on the physical properties of alcohols. For instance, research published in the *Journal of Fluorine Chemistry* demonstrated that the presence of multiple fluorine atoms significantly enhances the compound's thermal stability and reduces its surface tension. These properties make CAS No 431-36-7 an ideal candidate for use in high-performance materials and coatings.

Synthesis and Chemical Reactivity

The synthesis of CAS No 431-36-7 typically involves multi-step processes that include fluorination reactions. One common method involves the nucleophilic substitution of a suitable alkyl halide with a fluoride ion source. Recent advancements in catalytic fluorination techniques have improved the yield and efficiency of this process.

Chemically, CAS No 431-36-7 exhibits moderate reactivity due to the electron-withdrawing effect of the trifluoromethyl group. This makes it a versatile building block in organic synthesis. For example, researchers have utilized it as an intermediate in the preparation of perfluoroalkylated compounds, which are widely used in pharmaceuticals and agrochemicals.

Applications in Industry and Research

The applications of CAS No 431-36_7_ are diverse and span multiple industries. In the pharmaceutical sector, it serves as an intermediate in the synthesis of bioactive compounds with potential therapeutic applications. Its ability to form stable esters and ethers makes it valuable in drug delivery systems.

In materials science, CAS No 431_36_7_ has been employed as a precursor for advanced polymers and surfactants. A study published in *Macromolecules* highlighted its role in creating amphiphilic polymers with tunable surface properties. These materials are promising candidates for use in biomedical devices and self-cleaning surfaces.

Additionally, CAS No 43_8_ has found applications in electronic materials due to its ability to enhance dielectric properties when incorporated into polymer matrices. This has led to its use in high-performance capacitors and flexible electronics.

Safety Considerations and Environmental Impact

While CAS No 4_8_ is widely used, safety considerations are essential when handling this compound. It is important to adhere to standard laboratory safety protocols to minimize exposure risks. Recent studies have also focused on understanding its environmental fate and toxicity profile.

Eco-friendly synthesis routes for CAS No 4_8_ are being explored to reduce its environmental footprint. Researchers have reported on catalytic processes that minimize waste generation during production.

Efforts are also underway to assess its biodegradability under various environmental conditions. Preliminary results suggest that while it exhibits moderate persistence in aquatic environments, degradation can be accelerated under specific microbial conditions.

< p >In conclusion, CAS No 4_8_, or _Trifluorobutanol, stands as a testament to the versatility of fluorinated compounds in modern chemistry._ Its unique properties continue to drive innovation across multiple disciplines._ As research advances,_ new applications for this compound are likely to emerge,_ further solidifying its role as an important chemical building block._ p >
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