ChemicalBook > CAS DataBase List > Trifluorothymine

Trifluorothymine

Product Name
Trifluorothymine
CAS No.
54-20-6
Chemical Name
Trifluorothymine
Synonyms
5-(TRIFLUOROMETHYL)URACIL;TRIFLUOROMETHYLURACIL;5-(trifluoroMethyl)pyriMidine-2,4-diol;5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;5-Trifluoromethyl;2,4-DIHYDROXY-5-TRIFLUOROMETHYL-1H-PYRIMIDINE;L 595725-0-1;TRIFLUOROTHYMINE;5-Trifluorothymine;Trifluorothymine 5-
CBNumber
CB8684875
Molecular Formula
C5H3F3N2O2
Formula Weight
180.08
MOL File
54-20-6.mol
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Trifluorothymine Property

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
pka
6.63±0.10(Predicted)
form 
powder to crystal
color 
White to Orange to Green
Water Solubility 
INSOLUBLE
BRN 
612694
InChI
InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
InChIKey
LMNPKIOZMGYQIU-UHFFFAOYSA-N
SMILES
C1(=O)NC=C(C(F)(F)F)C(=O)N1
CAS DataBase Reference
54-20-6(CAS DataBase Reference)
NIST Chemistry Reference
2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6)
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Safety

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
Toxicity
LD50 intraperitoneal in mouse: 800mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H301Toxic if swalloed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
223271
Product name
Trifluorothymine
Purity
97%
Packaging
250mg
Price
$27.4
Updated
2025/07/31
TCI Chemical
Product number
T1622
Product name
5-(Trifluoromethyl)uracil
Purity
>97.0%(HPLC)
Packaging
1g
Price
$74
Updated
2025/07/31
TCI Chemical
Product number
T1622
Product name
5-(Trifluoromethyl)uracil
Purity
>97.0%(HPLC)
Packaging
5g
Price
$213
Updated
2025/07/31
TRC
Product number
T793638
Product name
Trifluorothymine
Packaging
25g
Price
$225
Updated
2021/12/16
TRC
Product number
T793638
Product name
Trifluorothymine
Packaging
10g
Price
$110
Updated
2021/12/16
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Trifluorothymine Chemical Properties,Usage,Production

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.

References

[1] Patent: EP1947092, 2008, A1. Location in patent: Page/Page column 36; 37
[2] Patent: EP2080744, 2009, A1. Location in patent: Page/Page column 6
[3] Patent: CN108484508, 2018, A. Location in patent: Paragraph 0023; 0026; 0029; 0032; 0033; 0034; 0035; 0038
[4] Patent: EP1947092, 2008, A1. Location in patent: Page/Page column 37
[5] Patent: EP1947092, 2008, A1. Location in patent: Page/Page column 37

Trifluorothymine Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Trifluorothymine manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
Trifluorothymine 54-20-6
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-22
Henan Aochuang Chemical Co.,Ltd.
Product
Trifluorothymine 54-20-6
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-30
Henan Fengda Chemical Co., Ltd
Product
Trifluorothymine 54-20-6
Price
US $5.00-0.10/KG
Min. Order
1KG
Purity
98%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-04-09

54-20-6, TrifluorothymineRelated Search:

(Trifluoromethyl)trimethylsilane 3-(Trifluoromethyl)benzaldehyde 3-（trifluoromethyl) Cinnamaldehyde Trifluoromethanesulfonic acid Trifluoromethanesulfonic anhydride 3-(Trifluoromethyl)benzoic acid 2-Methylbenzotrifluoride [2-13C,15N2]-Trifluorothymine Trifluridine Impurity Trifluridine 6-(TRIFLUOROMETHYL)URACIL Thymine Uracil 5-(TRIFLUOROMETHYL)-URIDINE 1-(2-HYDROXY-ETHOXYMETHYL)-5-TRIFLUOROMETHYL-1H-PYRIMIDINE-2,4-DIONE 3'-O-benzyl-2'-deoxy-5-trifluoromethyluridine Trifluoromethyl Trifluorothymine

  • 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
  • 5-(trifluoroMethyl)pyriMidine-2,4-diol
  • 2,4(1H,3H)-PyriMidinedione,5-(trifluoroMethyl)-
  • 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, 2,4-Dioxo-1,2,3,4-tetrahydro-5-(trifluoromethyl)pyrimidine
  • 5-Trifluoromethyluracil≥ 98% (HPLC)
  • TRIFLUOROTHYMINE
  • TRIFLUOROMETHYLURACIL
  • 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)uracil98%
  • Trifluorothymine###2,4-Dichloro-5-trichloromethylpyrimidine
  • 5-(TRIFLUOROMETHYL)URACIL
  • 5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • TRIFLUOROMETHYLURACIL CRYSTALLINE
  • 5-(Trifluoromethyl)uracil,97%
  • TRIFLUOROTHYMINE(RS20000094)
  • 5-Trifluorothymine
  • Trifluorothymine 5-
  • ifluoromethyl)pyrimidine-2,4(1H,3H)-dione
  • Trifluorothymine-13C4-15N2
  • Trifluorothymine,54-20-6
  • 5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione (5-(trifluoromethyl)uracil
  • 5-TRIFLUOROMETHYLURACIL Trifluorothymine
  • 54-20-6
  • Pyrimidines
  • Heterocyclic Building Blocks
  • Building Blocks
  • Pyrimidine
  • Pyrimidines
  • Miscellaneous
  • Pyrimidine series
  • Indolines ,Indoles ,Indazoles
  • 54-20-6