346128
1-(Trifluoroacetyl)imidazole
98%
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About This Item
Empirical Formula (Hill Notation):
C5H3F3N2O
CAS Number:
Molecular Weight:
164.09
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
216-282-5
Beilstein/REAXYS Number:
608904
MDL number:
Assay:
98%
Form:
liquid
Quality Segment
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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signalword
Warning
hcodes
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
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