Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

223271

Sigma-Aldrich

Trifluorothymine

97%

Synonym(s):

5-Trifluoromethyluracil

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C5H3F3N2O2
CAS Number:
54-20-6
Molecular Weight:
180.08
EC Number:
200-197-5
MDL number:
MFCD00006024
UNSPSC Code:
12352100
PubChem Substance ID:
24853372
NACRES:
NA.22

Quality Level

100

assay

97%

form

powder

mp

245-246 °C (lit.)

solubility

methanol: soluble 50 mg/mL, clear

functional group

fluoro

SMILES string

FC(F)(F)C1=CNC(=O)NC1=O

InChI

1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)

InChI key

LMNPKIOZMGYQIU-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCN4796
MKCG4745
MKCD5848
MKCD3988
MKBW4648V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Cağrı Cırak et al.
Journal of molecular modeling, 18(9), 4453-4464 (2012-05-31)
In the present work, the experimental and the theoretical vibrational spectra of trifluorothymine were investigated. The FT-IR (400-4000 cm(-1)) and μ-Raman spectra (100-4000 cm(-1)) of trifluorothymine in the solid phase were recorded. The geometric parameters (bond lengths and bond angles) and vibrational
R Pouremad et al.
NMR in biomedicine, 12(6), 373-380 (1999-10-12)
Metabolism of trifluorothymidine (TFT) and its transport across the blood-brain barrier (BBB) has been measured quantitatively in rats by fluorine-19 nuclear magnetic resonance spectroscopy ((19)F NMR). It is demonstrated that TFT crosses the BBB in micromolar quantities and is metabolized
R Salvetti et al.
Nucleosides, nucleotides & nucleic acids, 20(4-7), 1123-1125 (2001-09-21)
Recently, beta-L-nucleoside analogues have emerged as a new class of sugar modified nucleosides with potential antiviral and/or antitumoral activity. As a part of our ongoing research on this topic, we decided to synthesize 5-CF3-beta-L-dUrd (7), the hitherto unknown L-enantiomer of

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service