Trifluorothymine
- CAS No.
- 54-20-6
- Chemical Name:
- Trifluorothymine
- Synonyms
- 5-(TRIFLUOROMETHYL)URACIL;5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;5-(trifluoroMethyl)pyriMidine-2,4-diol;TRIFLUOROMETHYLURACIL;5-Trifluoromethyl;2,4-DIHYDROXY-5-TRIFLUOROMETHYL-1H-PYRIMIDINE;L 595725-0-1;TRIFLUOROTHYMINE;5-Trifluorothymine;Trifluorothymine 5-
- CBNumber:
- CB8684875
- Molecular Formula:
- C5H3F3N2O2
- Molecular Weight:
- 180.08
- MDL Number:
- MFCD00006024
- MOL File:
- 54-20-6.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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) |
| EWG's Food Scores | 1 |
| FDA UNII | 4U846R5P34 |
| NIST Chemistry Reference | 2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301-H315-H319-H335 | |||||||||
| Precautionary statements | P301+P310+P330-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| 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 | |||||||||
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
|||||||||
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| Toxicity | LD50 intraperitoneal in mouse: 800mg/kg | |||||||||
| NFPA 704 |
|
Trifluorothymine price More Price(76)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 223271 | Trifluorothymine 97% | 54-20-6 | 250mg | $29.2 | 2026-04-30 | Buy |
| TCI Chemical | T1622 | 5-(Trifluoromethyl)uracil >97.0%(HPLC) | 54-20-6 | 1g | $63 | 2026-04-30 | Buy |
| TCI Chemical | T1622 | 5-(Trifluoromethyl)uracil >97.0%(HPLC) | 54-20-6 | 5g | $181 | 2026-04-30 | Buy |
| Usbiological | 468148 | Trifluorothymine | 54-20-6 | 250mg | $305 | 2026-06-03 | Buy |
| Usbiological | 468148 | Trifluorothymine | 54-20-6 | 1g | $389 | 2026-06-03 | Buy |
Trifluorothymine Chemical Properties, Uses, 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
Trifluorothymine Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| CHANGZHOU FLUORIDE CHEMICAL CO.,LTD | 0086-519-89892883 15995021858 | info@fluoridechem.com | China | 67 | 58 |
| Shanghai Zhuorui Chemical Co.,Ltd. | 021-69180038 | zhuoruichem@163.com | China | 105 | 58 |
| Shandong Xuande Pharmaceutical Technology Co. LTD | 18866895588 | dingjiaying@shiningpharm.com | China | 184 | 55 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Hangzhou Chemtrue Bio-Tech Co.,Ltd. | 19967494293 | sales@chemtrue-bio.com | China | 303 | 58 |
| Yangzhou modier Electronic Materials Co., Ltd | 13761402923 19975033992 | market@modeltemol.com | China | 7908 | 58 |
| Nanbu County Chengxin Technology Co., Ltd. | 0838-5675166 15883665058 | nbcxkj@126.com | China | 956 | 55 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| INTATRADE GmbH | +49 3493/605464 | sales@intatrade.de | Germany | 3563 | 66 |
View Latest Price from Trifluorothymine manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-10-10 | 5-trifluoromethyluracil
54-20-6
|
$1.00 | 1KG | 99% | 20T | Shaanxi Dideu Medichem Co. Ltd | |
 |
2026-09-02 | Trifluorothymine
54-20-6
|
$5.00 | 1KG | 98% | Henan Fengda Chemical Co., Ltd | ||
 |
2026-06-30 | Trifluorothymine
54-20-6
|
1KG | 98 | 10000KGS | Shaanxi Dideu New Materials Co. Ltd |
-
- 5-trifluoromethyluracil
54-20-6
- $1.00
- 99%
- Shaanxi Dideu Medichem Co. Ltd
-
- Trifluorothymine
54-20-6
- $5.00
- 98%
- Henan Fengda Chemical Co., Ltd
-
- Trifluorothymine
54-20-6
- 98
- Shaanxi Dideu New Materials Co. Ltd
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