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About This Item
Empirical Formula (Hill Notation):
C5H3F3N2O2
CAS Number:
Molecular Weight:
180.08
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
200-197-5
MDL number:
Assay:
97%
Form:
powder
InChI key
LMNPKIOZMGYQIU-UHFFFAOYSA-N
InChI
1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
SMILES string
FC(F)(F)C1=CNC(=O)NC1=O
assay
97%
form
powder
mp
245-246 °C (lit.)
solubility
methanol: soluble 50 mg/mL, clear
functional group
fluoro
Quality Level
Related Categories
signalword
Danger
hcodes
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
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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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
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
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