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HomeProduct name listTrifluorothymine

Trifluorothymine

Synonym(s):5-Trifluoromethyluracil

  • CAS NO.:54-20-6
  • Empirical Formula: C5H3F3N2O2
  • Molecular Weight: 180.08
  • MDL number: MFCD00006024
  • EINECS: 200-197-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-22 13:59:06
Trifluorothymine Structural

What is Trifluorothymine?

Chemical properties

White to faintly yellow crystalline powder

The Uses of Trifluorothymine

Trifluorothymine is an antitumor and antiviral agent. Trifluorothymine was found in patientsтАЩ urine as a metabolite of Trifluorothymidine as cancer treatment.

What are the applications of Application

Trifluorothymine (5-(Trifluoromethyl)uracil) is an application medicine intermediate widely. It may be used for the synthesis of the cancer therapy drug trifluridine and also can be used for the preparation of the 2, 4-dichloro-5-trifluoromethyluracil.

Synthesis

Uracil and sodium triflate can be used as raw materials to synthesize Trifluorothymine. This reaction uses a mixed solvent of methylene chloride and water as the reaction solvent and tert-butyl hydroperoxide as the catalyst.
Trifluorothymine

Properties of Trifluorothymine

Melting point: 245-246 °C(lit.)
Density  1.5484 (estimate)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  methanol: soluble50mg/mL, clear
form  powder to crystal
pka 6.63±0.10(Predicted)
color  White to Orange to Green
Water Solubility  INSOLUBLE
BRN  612694
CAS DataBase Reference 54-20-6(CAS DataBase Reference)
NIST Chemistry Reference 2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6)

Safety information for Trifluorothymine

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Trifluorothymine

InChIKey LMNPKIOZMGYQIU-UHFFFAOYSA-N

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