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ChemicalBook--->CAS DataBase List--->54-20-6

54-20-6

54-20-6 Structure

54-20-6 Structure
IdentificationMore
[Name]

Trifluorothymine
[CAS]

54-20-6
[Synonyms]

5-(TRIFLUOROMETHYL)URACIL
TRIFLUOROMETHYLURACIL
TRIFLUOROTHYMINE
1,2,3,4-Tetrahydropyrazin-2,4-dione, 5-trifluoromethyl-
3h)-pyrimidinedione,5-(trifluoromethyl)-4(1h
5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
5-(trifluoromethyl)-uraci
L 595725-0-1
Uracil, 5-(trifluoromethyl)-
5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
TRIFLUOROMETHYLURACIL CRYSTALLINE
5-(Trifluoromethyl)uracil,97%
5-(Trifluoromethyl)uracil98%
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
[EINECS(EC#)]

200-197-5
[Molecular Formula]

C5H3F3N2O2
[MDL Number]

MFCD00006024
[Molecular Weight]

180.08
[MOL File]

54-20-6.mol
Chemical PropertiesBack Directory
[Appearance]

White to faintly yellow crystalline powder
[Melting point ]

245-246 °C(lit.)
[density ]

1.5484 (estimate)
[storage temp. ]

−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
[InChIKey]

LMNPKIOZMGYQIU-UHFFFAOYSA-N
[CAS DataBase Reference]

54-20-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin .
R40:Limited evidence of a carcinogenic effect.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

YR1750000
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

[HS Code ]

29335990
[Toxicity]

LD50 intraperitoneal in mouse: 800mg/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Trifluoromethyluracil(54-20-6).msds
Hazard InformationBack Directory
[Chemical Properties]

White to faintly yellow crystalline powder
[Uses]

Trifluorothymine is an antitumor and antiviral agent. Trifluorothymine was found in patientsтАЩ urine as a metabolite of Trifluorothymidine as cancer treatment.
[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
Spectrum DetailBack Directory
[Spectrum Detail]

Trifluorothymine(54-20-6)MS
Trifluorothymine(54-20-6)1HNMR
Trifluorothymine(54-20-6)IR1
Trifluorothymine(54-20-6)IR2
Trifluorothymine(54-20-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-(Trifluoromethyl)uracil, 99%(54-20-6)
[Alfa Aesar]

5-(Trifluoromethyl)uracil, 97%(54-20-6)
[Sigma Aldrich]

54-20-6(sigmaaldrich)
[TCI AMERICA]

5-(Trifluoromethyl)uracil,>97.0%(T)(54-20-6)
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