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Trifluorothymine

Trifluorothymine Basic information
Product Name:Trifluorothymine
Synonyms:2,4-DIHYDROXY-5-TRIFLUOROMETHYL-1H-PYRIMIDINE;5-TRIFLUOROMETHYL-1H-PYRIMIDIN-2,4-DIONE;5-(TRIFLUOROMETHYL)URACIL: 98.5%;5-Trifluoromethyl;5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;5-(Trifluoromethyl)uracil,99%;5-TRIFLUORMETHYL-URACIL;1,3,6-trifluoro-5-Methyl-1,2,3,4-tetrahydropyriMidine-2,4-dione
CAS:54-20-6
MF:C5H3F3N2O2
MW:180.08
EINECS:200-197-5
Product Categories:Pyrimidine;Pyrimidines;Pyrimidine series;Miscellaneous;Indolines ,Indoles ,Indazoles;54-20-6
Mol File:54-20-6.mol
Trifluorothymine Structure
Trifluorothymine Chemical Properties
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
pka6.63±0.10(Predicted)
color White to Orange to Green
Water Solubility INSOLUBLE
BRN 612694
InChIKeyLMNPKIOZMGYQIU-UHFFFAOYSA-N
CAS DataBase Reference54-20-6(CAS DataBase Reference)
NIST Chemistry Reference2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6)
Safety Information
Hazard Codes Xi,T
Risk Statements 22-36/38-40-36/37/38-25
Safety Statements 24/25-36-26
RIDADR 2811
WGK Germany 3
RTECS YR1750000
Hazard Note Irritant
HazardClass 6.1
PackingGroup Ⅲ
HS Code 29335990
ToxicityLD50 intraperitoneal in mouse: 800mg/kg
MSDS Information
ProviderLanguage
Trifluoromethyluracil English
SigmaAldrich English
ACROS English
ALFA English
Trifluorothymine Usage And Synthesis
Chemical PropertiesWhite to faintly yellow crystalline powder
UsesTrifluorothymine is an antitumor and antiviral agent. Trifluorothymine was found in patientsтАЩ urine as a metabolite of Trifluorothymidine as cancer treatment.
Trifluorothymine Preparation Products And Raw materials
Preparation ProductsPF-562271-->2,4(1H,3H)-Pyrimidinedione, 1-ethyl-5-(trifluoromethyl)-
3-(Trifluoromethyl)benzoic acid (Trifluoromethyl)trimethylsilane URACIL 5-TRIFLUOROMETHYL 2'-DEOXYURIDINE, [2'-3H]- 3-(Trifluoromethyl)benzaldehyde 5-TRIFLUOROMETHYLURACIL, [METHYL-14C]- 3-（trifluoromethyl) Cinnamaldehyde Trifluoromethanesulfonic anhydride 5-TRIFLUOROMETHYL URACIL, [2-13C-1,3-15N]- Trifluoromethyl 3'-O-benzyl-2'-deoxy-5-trifluoromethyluridine 5-TRIFLUOROMETHYL 2'-DEOXYURIDINE, [6-3H]- Trifluridine 5-TRIFLUOROMETHYL-2'-DEOXYURIDINE, [2-13C-1,3-15N]- 1-(2-HYDROXY-ETHOXYMETHYL)-5-TRIFLUOROMETHYL-1H-PYRIMIDINE-2,4-DIONE Trifluorothymine 5-(TRIFLUOROMETHYL)-URIDINE 2-Methylbenzotrifluoride
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