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346128

Sigma-Aldrich

1-(Trifluoroacetyl)imidazole

98%

Empirical Formula (Hill Notation):
C5H3F3N2O
CAS Number:
Molecular Weight:
164.09
Beilstein:
608904
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.424 (lit.)

bp

137 °C (lit.)
45-46 °C/14 mmHg (lit.)

density

1.442 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

FC(F)(F)C(=O)n1ccnc1

InChI

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

InChI key

SINBGNJPYWNUQI-UHFFFAOYSA-N

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General description

1-(Trifluoroacetyl)imidazole (N-(Trifluroroacetyl)imidazole) is an effective reagent for specific trifluoroacetylation of an aminomethyl side chain of certain nucleosides.

Application

1-(Trifluoroacetyl)imidazole may be employed as derivatization reagent for the detection of mustard gas degradation products, thiodiglycol and thiodiglycol sulfoxide using gas chromatography-tandem mass spectrometry. It may be used as reagent for the trifluoroacetylation of amines. It was used for derivatization of ethanolamine phospholipid-alkenal Michael adducts for GC-MS analysis. It was used in the determination of quinolinic acid, a kynurenine metabolite, by GC/MS.

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

111.2 °F - closed cup

Flash Point(C)

44 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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