- Trifluorothymine
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2026-06-30
- CAS:54-20-6
- Min. Order: 1KG
- Purity: 98
- Supply Ability: 10000KGS
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| | Trifluorothymine Basic information |
| Product Name: | Trifluorothymine | | Synonyms: | 5-TRIFLUOROMETHYL-1H-PYRIMIDIN-2,4-DIONE;5-(TRIFLUOROMETHYL)URACIL: 98.5%;5-(Trifluoromethyl)uracil,99%;5-TRIFLUORMETHYL-URACIL;1,3,6-trifluoro-5-Methyl-1,2,3,4-tetrahydropyriMidine-2,4-dione;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) | | 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 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 | | pka | 6.63±0.10(Predicted) | | 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) |
| 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 |
| | Trifluorothymine Usage And Synthesis |
| 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 |
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