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346128

1-(Trifluoroacetyl)imidazole

98%

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About This Item

Empirical Formula (Hill Notation):
C5H3F3N2O
CAS Number:
1546-79-8
Molecular Weight:
164.09
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24861374
EC Number:
216-282-5
Beilstein/REAXYS Number:
608904
MDL number:
MFCD00014501
Assay:
98%
Form:
liquid
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Quality Level

200

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.)

functional group

fluoro

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

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.

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

111.2 °F - closed cup

flash_point_c

44 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
0000365905
0000364947
0000242438
0000365905
0000364947

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Direct microwave promoted trifluoroacetylation of aromatic amines with trifluoroacetic acid.
Salazar J, et al.
Journal of Fluorine Chemistry, 124(1), 111-113 (2003)
Stanisław Popiel et al.
Analytical chemistry, 86(12), 5865-5872 (2014-05-17)
A method for detecting mustard gas degradation products thiodiglycol (TDG) and thiodiglycol sulfoxide (TDGO) in water and sediment samples using gas chromatography-tandem mass spectrometry (GC-MS/MS) after derivatization with 1-(trifluoroacetyl)imidazole (TFAI) was described. Selected reaction monitoring mode (SRM) of tandem mass
Trifluoroacetylation in Organic Synthesis: Reagents, Developments and Applications in the Construction of Trifluoromethylated Compounds.
Lopez SE, et al.
Current Organic Synthesis, 7(5), 414-432 (2010)
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Global Trade Item Number

SKUGTIN
346128-1G04061838135391
346128-10G04061838126719