2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone

Basic Information

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CAS Number

1546-79-8

Molecular Formula

C5H3F3N2O

Molecular Weight

164.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

83°C/110mmHg

Refractive Index

n20/D 1.424(lit.)

SMILES

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C1=CN(C=N1)C(=O)C(F)(F)F

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H

InChIKey

SINBGNJPYWNUQI-UHFFFAOYSA-N

LogP

1.0856

Topological Polar Surface Area

34.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

168

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

DTXSID60165669
CS-W013249
1H-Imidazole, 1-(trifluoroacetyl)-
N-Trifluoroacetylimidazole
MFCD00014501
2,2,2-trifluoro-1-imidazol-1-ylethanone
FT-0633652
1-(Trifluoroacetyl)-1H-imidazole #
EINECS 216-282-5
J-009132
NSC-151965
AC-22741
BP-12200
NSC151965
Q27270172
T0670
1-(Trifluoroacetyl)imidazole
SCHEMBL156615
1546-79-8
N-TRIFLUOROACETYL IMIDAZOLE
ETHANONE, 2,2,2-TRIFLUORO-1-(1H-IMIDAZOL-1-YL)-
1-trifluoroacetylimidazole
UNII-8C6041OW3I
METHYL2,4-DINITROBENZOATE
1-(trifloroacetyl)imidazole
1-(Trifluoroacetyl)-imidazole
IMIDAZOLE, 1-(TRIFLUOROACETYL)-
NS00048315
1-(trifluoroacetyl) imidazole
NSC 151965
1-(Trifluoroacetyl)imidazole, for GC derivatization

MDL Number

MFCD00014501

Customs Code

2933290090

FAQ

What is 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone (CAS: 1546-79-8)?

2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone (CAS: 1546-79-8) is an organic compound with a molecular structure featuring trifluoroethyl and imidazole functionalities. It is a colorless liquid with a molecular formula of C5H3F3N2O.

What are the main uses of 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone (CAS: 1546-79-8)?

2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone (CAS: 1546-79-8) is primarily used in the synthesis of pharmaceutical intermediates and as a reagent in organic chemistry. It is also utilized in laboratory research for its unique chemical properties.

Is 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone (CAS: 1546-79-8) safe?

2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone (CAS: 1546-79-8) is generally safe when handled with proper precautions. It should be used in a well-ventilated area and with appropriate personal protective equipment (PPE) to avoid inhalation and skin contact. Avoid contact with eyes and clothing.

How should 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone (CAS: 1546-79-8) be stored?

2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone (CAS: 1546-79-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Store it in a well-ventilated area to ensure proper air circulation.