CAS 54-20-6|Trifluorothymine
Introduction：Basic information about CAS 54-20-6|Trifluorothymine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Trifluorothymine | ||
|---|---|---|---|
| CAS Number | 54-20-6 | Molecular Weight | 180.085 |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 350ºC |
| Molecular Formula | C5H3F3N2O2 | Melting Point | 245-246 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | / |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | Trifluorothymine |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 350ºC |
| Melting Point | 245-246 °C(lit.) |
| Molecular Formula | C5H3F3N2O2 |
| Molecular Weight | 180.085 |
| Exact Mass | 180.014664 |
| PSA | 65.72000 |
| LogP | 0.04 |
| Index of Refraction | 1.428 |
| InChIKey | LMNPKIOZMGYQIU-UHFFFAOYSA-N |
| SMILES | O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1 |
| Storage condition | −20°C |
| Water Solubility | INSOLUBLE |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 24,1979,1964
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H319-H335 |
| Precautionary Statements | P261-P301 + P310-P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Phrases | R22 |
| Safety Phrases | S24/25 |
| RIDADR | 2811.0 |
| WGK Germany | 3 |
| RTECS | YR1750000 |
| HS Code | 2933599090 |
Customs
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles3
More Articles| Molecular structure and effects of intermolecular hydrogen bonding on the vibrational spectrum of trifluorothymine, an antitumor and antiviral agent. J. Mol. Model. 18(9) , 4453-64, (2012) In the present work, the experimental and the theoretical vibrational spectra of trifluorothymine were investigated. The FT-IR (400-4000 cm(-1)) and μ-Raman spectra (100-4000 cm(-1)) of trifluorothymi... | |
| Quantitative 19F NMR study of trifluorothymidine metabolism in rat brain. NMR Biomed. 12(6) , 373-80, (1999) Metabolism of trifluorothymidine (TFT) and its transport across the blood-brain barrier (BBB) has been measured quantitatively in rats by fluorine-19 nuclear magnetic resonance spectroscopy ((19)F NMR... | |
| Synthesis and in vitro activity of D- and L-enantiomers of 5-(trifluoromethyl)uracil nucleoside derivatives. Nucleosides Nucleotides Nucleic Acids 20(4-7) , 1123-5, (2001) Recently, beta-L-nucleoside analogues have emerged as a new class of sugar modified nucleosides with potential antiviral and/or antitumoral activity. As a part of our ongoing research on this topic, w... |
Synonyms
| 5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione |
| 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione |
| MFCD00006024 |
| EINECS 200-197-5 |
| 5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| 5-(Trifluoromethyl)uracil |
| 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione |
| 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)- |
