5-(Trifluormethyl)uracil
Bezeichnung:5-(Trifluormethyl)uracil
CAS-Nr54-20-6
Englisch Name:Trifluorothymine
CBNumberCB8684875
SummenformelC5H3F3N2O2
Molgewicht180.08
MOL-Datei54-20-6.mol
Synonyma
5-(Trifluormethyl)uracil
5-(Trifluormethyl)uracil physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 245-246 °C(lit.) |
| Dichte | 1.5484 (estimate) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | methanol: soluble50mg/mL, clear |
| Aggregatzustand | powder to crystal |
| pka | 6.63±0.10(Predicted) |
| Farbe | White to Orange to Green |
| Wasserlöslichkeit | 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 Datenbank | 54-20-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6) |
| Kennzeichnung gefährlicher | Xi,T |
| R-Sätze: | 22-36/38-40-36/37/38-25 |
| S-Sätze: | 24/25-36-26 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS-Nr. | YR1750000 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | Ⅲ |
| HS Code | 29335990 |
| Toxizität | LD50 intraperitoneal in mouse: 800mg/kg |
