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CAS

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1-(Trifluoroacetyl)imidazole is a derivatizing reagent, characterized as a colorless to pink liquid. It is primarily utilized in the chemical synthesis and analysis of various compounds, particularly for the modification of functional groups such as amino groups.

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  • 1546-79-8 Structure

  • Basic information

    1. Product Name: 1-(Trifluoroacetyl)imidazole
    2. Synonyms: 1H-Imidazole, 1-(trifluoroacetyl)-;N-TRIFLUOROACETYLIMIDAZOLE;TRIFLUOROACETYLIMIDAZOLE;TFAI;1-(trifluoroacetyl)-1h-imidazole;1-(TRIFLUOROACETYL)IMIDAZOLE;1-(TRIFLUOROACETYL)IMIDAZOLE, DERIVATI-Z ATION REAGENT;1-(TRIFLUOROACETYL)IMIDAZOLE, DERIVATIZA TION GRADE
    3. CAS NO:1546-79-8
    4. Molecular Formula: C5H3F3N2O
    5. Molecular Weight: 164.09
    6. EINECS: 216-282-5
    7. Product Categories: ACETYLHALIDE;Imidazol&Benzimidazole;Heterocyclic Compounds;Acylation (GC Derivatizing Reagents);Analytical Chemistry;GC Derivatizing Reagents;Protection & Derivatization Reagents (for Synthesis);Synthetic Organic Chemistry;Building Blocks;Acylation ReagentsBuilding Blocks;Analytical/Chromatography;Derivatization Reagents;Heterocyclic Building Blocks;Imidazoles;Acylation Reagent
    8. Mol File: 1546-79-8.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 137 °C(lit.)
    3. Flash Point: 113 °F
    4. Appearance: colorless to pink liquid
    5. Density: 1.442 g/mL at 25 °C(lit.)
    6. Refractive Index: n20/D 1.424(lit.)
    7. Storage Temp.: 0-6°C
    8. Solubility: N/A
    9. PKA: 0.78±0.10(Predicted)
    10. Water Solubility: reacts
    11. Sensitive: Moisture Sensitive
    12. BRN: 608904
    13. CAS DataBase Reference: 1-(Trifluoroacetyl)imidazole(CAS DataBase Reference)
    14. NIST Chemistry Reference: 1-(Trifluoroacetyl)imidazole(1546-79-8)
    15. EPA Substance Registry System: 1-(Trifluoroacetyl)imidazole(1546-79-8)

  • Safety Data

    1. Hazard Codes: Xi,F,C
    2. Statements: 10-36/37/38-34-22
    3. Safety Statements: 26-36/37-45-36/37/39-16
    4. RIDADR: UN 1993 3/PG 3
    5. WGK Germany: 3
    6. RTECS:
    7. F: 10-21
    8. TSCA: T
    9. HazardClass: 3
    10. PackingGroup: III
    11. Hazardous Substances Data: 1546-79-8(Hazardous Substances Data)

1546-79-8 Usage

Uses

Used in Chemical Synthesis:
1-(Trifluoroacetyl)imidazole is used as a derivatizing agent for the modification of functional groups like amino groups. This application is crucial in the synthesis of various organic compounds, as it allows for the introduction of specific functional groups, enhancing the reactivity and properties of the target molecules.
Used in Analytical Chemistry:
In analytical chemistry, 1-(Trifluoroacetyl)imidazole is employed as a derivatizing agent to facilitate the analysis of certain compounds. For instance, it has been used to sequentially derivatize functional groups like amino groups in a study demonstrating trimethylsilyl esters of aromatic and aliphatic sulfonic acids. This application aids in the identification, quantification, and structural elucidation of these compounds, which can be particularly useful in research and quality control processes.
Used in Pharmaceutical Industry:
1-(Trifluoroacetyl)imidazole may also find applications in the pharmaceutical industry, where it can be used as a key intermediate in the synthesis of various drug candidates. Its ability to modify functional groups makes it a valuable tool in the development of new medications with improved efficacy, selectivity, and pharmacokinetic properties.
Used in Material Science:
In the field of material science, 1-(Trifluoroacetyl)imidazole can be utilized to modify the properties of polymers and other materials. By introducing specific functional groups, it can enhance the material's performance, such as its mechanical strength, thermal stability, or chemical resistance, depending on the desired application.

Check Digit Verification of cas no

The CAS Registry Mumber 1546-79-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,5,4 and 6 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1546-79:
(6*1)+(5*5)+(4*4)+(3*6)+(2*7)+(1*9)=88
88 % 10 = 8
So 1546-79-8 is a valid CAS Registry Number.
InChI:InChI=1/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3

1546-79-8 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • TCI America

  • (T0670)  1-(Trifluoroacetyl)imidazole  >98.0%(T)

  • 1546-79-8

  • 5g

  • 450.00CNY

  • Detail

  • TCI America

  • (T0670)  1-(Trifluoroacetyl)imidazole  >98.0%(T)

  • 1546-79-8

  • 25g

  • 1,490.00CNY

  • Detail

  • Alfa Aesar

  • (L00135)  1-(Trifluoroacetyl)imidazole, 98+%   

  • 1546-79-8

  • 10g

  • 685.0CNY

  • Detail

  • Alfa Aesar

  • (L00135)  1-(Trifluoroacetyl)imidazole, 98+%   

  • 1546-79-8

  • 50g

  • 2914.0CNY

  • Detail

  • Aldrich

  • (394920)  1-(Trifluoroacetyl)imidazole  for GC derivatization

  • 1546-79-8

  • 394920-5ML

  • 2,076.75CNY

  • Detail

  • Aldrich

  • (394920)  1-(Trifluoroacetyl)imidazole  for GC derivatization

  • 1546-79-8

  • 394920-10X1ML

  • 2,468.70CNY

  • Detail

  • Aldrich

  • (346128)  1-(Trifluoroacetyl)imidazole  98%

  • 1546-79-8

  • 346128-1G

  • 296.01CNY

  • Detail

  • Aldrich

  • (346128)  1-(Trifluoroacetyl)imidazole  98%

  • 1546-79-8

  • 346128-10G

  • 989.82CNY

  • Detail

1546-79-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(Trifluoroacetyl)imidazole

1.2 Other means of identification

Product number -
Other names 1H-Imidazole, 1-(trifluoroacetyl)-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1546-79-8 SDS

1546-79-8Relevant articles and documents

Preparative synthesis of 2,2-dimethyl-5-(trifluoroacetyl)-1,3-dioxane-4,6-dione (2-trifluoroacetyl Meldrum's acid) and 2,2-dimethyl-6-(trifluoromethyl)-4H-1,3-dioxin-4-one and their synthetic usefulness as (trifluoroacetyl)ketene precursors

Sevenard, Dmitri V.,Didenko, Andrey V.,Lorenz, Denis,Vorobiev, Michael,Stelten, Johannes,Dülcks, Thomas,Sosnovskikh, Vyacheslav Ya.

, p. 1495 - 1502 (2017/02/18)

A simple and reliable method for the preparation of 2,2-dimethyl-5-(trifluoroacetyl)-1,3-dioxane-4,6-dione and 2,2-dimethyl-6-(trifluoromethyl)-4H-1,3-dioxin-4-one on a multigram scale was developed. These (trifluoroacetyl)ketene precursors were used in the hetero-Diels-Alder reaction with dialkylcyanamides and 1-ethoxyprop-1-yne, as well as in some reactions with nucleophiles.

Synthesis of novel 2-perfluoroacylcyclohexane-1,3-diones

Khlebnicova,Isakova,Baranovsky,Borisov,Lakhvich

, p. 1564 - 1569 (2008/09/18)

A one-pot synthesis of 2-perfluoroalkanoylcyclohexane-1,3-diones via C-acylation of cyclohexane-1,3-diones with N-perfluoroacylimidazole as an acylating agent is reported. A reaction was examined with isolated N-trifluoroacetylimidazole and with N-perfluoroacylimidazoles generated in situ from perfluorocarboxylic acid anhydrides or perfluorocarboxylic acids.

EFFICIENT OXYGENATION OF THIOPHOSPHORYL AND SELENOPHOSPHORYL GROUPS USING TRIFLUOROACETIC ANHYDRIDE

Helinski, Jan,Skrzypczynski, Zbigniew,Wasiak, Jacek,Michalski, Jan

, p. 4081 - 4084 (2007/10/02)

Trifluoroacetic anhydride reacts with organophosphorus compounds containing thiophosphoryl and selenophosphoryl groups converting them in high yield to the corresponding oxygenated systems.

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