346128

1-(Trifluoroacetyl)imidazole

98%

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

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: 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