Trifluorothymine
- Product NameTrifluorothymine
- CAS54-20-6
- CBNumberCB8684875
- MFC5H3F3N2O2
- MW180.08
- EINECS200-197-5
- MDL NumberMFCD00006024
- MOL File54-20-6.mol
- MSDS FileSDS
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) |
| 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
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H301-H315-H319-H335 | |||||||||
| Precautionary statements | P301+P310+P330-P302+P352-P305+P351+P338 | |||||||||
| 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: |
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