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About This Item
Empirical Formula (Hill Notation):
C5H3F3N2O
CAS Number:
Molecular Weight:
164.09
EC Number:
216-282-5
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
608904
MDL number:
grade
derivatization grade ((GC derivatization))
assay
≥99.0% (GC)
refractive index
n20/D 1.424
bp
137 °C (lit.), 45-46 °C/14 mmHg (lit.)
density
1.442 g/mL at 25 °C (lit.)
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
Other Notes
Reagent for the sensitive derivatization of alcohols to trifluoroacetates for GC analysis
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T Krishnamurthy et al.
Journal of chromatography, 355(1), 253-264 (1986-03-14)
The pentafluoropropionyl, (PFP) and trifluoroacetyl (TFA) esters of several naturally occurring and synthetically modified simple trichothecenes were synthesized in nanogram amounts and characterized. Optimum conditions for the gas chromatographic (GC) separation of these derivatives and their analysis by negative ion