Description

Trifluorothymine (CAS: 54-20-6), also known as 5-(Trifluoromethyl)uracil, is a fluorinated pyrimidine derivative with the molecular formula C₅H₃F₃N₂O₂. This high-purity compound is widely utilized in pharmaceutical research, chemical synthesis, and biochemical studies due to its unique structural properties. Its trifluoromethyl group enhances metabolic stability, making it a valuable intermediate in drug development, particularly for nucleoside analogs and antiviral agents. Available in >97% purity, our Trifluorothymine is rigorously tested via HPLC, NMR, and mass spectrometry to ensure consistency for sensitive applications. Packaged under inert conditions to prevent degradation, it is ideal for precision work in medicinal chemistry and molecular biology.

Properties

• CAS Number: 54-20-6
• Complexity: 268
• IUPAC Name: 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
• InChI: InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
• InChI Key: LMNPKIOZMGYQIU-UHFFFAOYSA-N
• Exact Mass: 180.01466183
• Molecular Formula: C5H3F3N2O2
• Molecular Weight: 180.08
• SMILES: C1=C(C(=O)NC(=O)N1)C(F)(F)F
• Topological: 58.2
• Monoisotopic Mass: 180.01466183
• Synonyms: 5-(Trifluoromethyl)uracil, 54-20-6, Trifluorothymine, 5-Trifluoromethyluracil, 5-(Trifluoromethyl)pyrimidine-2,4-diol, 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-, URACIL, 5-(TRIFLUOROMETHYL)-, EINECS 200-197-5, NSC 73757, L 595725-0-1, NSC-73757, 4U846R5P34, DTXSID40202304, 5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione, DTXCID00124795, 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-(9CI), 200-197-5, 5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione, MFCD00006024, 5-Trifluoromethyl-1H-pyrimidine-2,4-dione, 5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, NSC73757, ifluoromethyl)pyrimidine-2,4(1H,3H)-dione, 5-TFMU, 5-(trifluoromethyl)-1,3-dihydropyrimidine-2,4-dione, UNII-4U846R5P34, 5-Trifluorothymine, Trifluorothymine, 97%, 5-trifluoromethyl uracil, 5-trifluoromethyl-uracil, 5-(trifluoromethyl) uracil, WLN: T6MVMVJ EXFFF, NCIOpen2_000624, SCHEMBL42449, SCHEMBL442764, SCHEMBL442765, CHEMBL405942, SCHEMBL1163874, SCHEMBL4434227, ZRUHELNSRPKKNW-UHFFFAOYSA-N, HMS1664J14, BCP07550, BBL101944, CCG-50621, SBB089612, STL555741, 5-trifluoromethylpyrimidine-2,4-dione, AKOS005063375, AC-1199, CS-W019389, FS-1051, FT10650, HY-W018603, SB57782, ST079301, SY013886, NS00041043, T1622, 2,3H)-Pyrimidinedione, 5-(trifluoromethyl)-, EN300-94955, O11316, 5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione #, pyrimidine-2,4(1H,3H)-dione, 5-trifluoromethyl-, SR-01000639984-1, Q27260511, Z1203162212, 1,2,3,4-Tetrahydropyrazin-2,4-dione, 5-trifluoromethyl-, InChI=1/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12, 5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione; 5-(Trifluoromethyl)pyrimidine-2,4-diol; 5-(Trifluoromethyl)uracil; 5-Trifluoromethyl-1H-pyrimidine-2,4-dione; NSC 73757

Trifluorothymine is primarily used as a building block in the synthesis of modified nucleosides for antiviral and anticancer drug development. Its fluorinated structure enhances binding affinity and resistance to enzymatic degradation. Researchers also employ it as a probe in metabolic studies due to its ability to mimic natural pyrimidines. In material science, it serves as a precursor for specialty polymers with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (91.1%)
• Skin Irrit. 2 (97.8%)
• Eye Irrit. 2 (97.8%)
• STOT SE 3 (97.8%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.