5-ETHOXYCARBONYL-4-(TRIFLUOROMETHYL)PYRIMIDIN-2(1H)-ONE
Catalog No: FT-0620368
CAS No: 154934-97-1
- Chemical Name: 5-ETHOXYCARBONYL-4-(TRIFLUOROMETHYL)PYRIMIDIN-2(1H)-ONE
- Molecular Formula: C8H7F3N2O3
- Molecular Weight: 236.15
- InChI Key: NDYMZBLTCALOTK-UHFFFAOYSA-N
- InChI: InChI=1S/C8H7F3N2O3/c1-2-16-6(14)4-3-12-7(15)13-5(4)8(9,10)11/h3H,2H2,1H3,(H,12,13,15)
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Product_Name: | Ethyl 2-hydroxy-4-(trifluoromethyl)-5-pyrimidinecarboxylate |
|---|---|
| Flash_Point: | 184.6ºC |
| Melting_Point: | 165 °C |
| FW: | 236.14800 |
| Density: | 1.5g/cm3 |
| CAS: | 154934-97-1 |
| Bolling_Point: | 381.7ºC at 760mmHg |
| MF: | C8H7F3N2O3 |
| Molecular_Structure: | ['1 . Molar refractive index 4602 ', '2 . Molar volume 1566 ', '3 . Parachor (902K)3863 ', '4 . Surface tension 370 ', '5 . Polarizability 1824'] |
|---|---|
| LogP: | 0.96540 |
| Flash_Point: | 184.6ºC |
| Refractive_Index: | 1.499 |
| FW: | 236.14800 |
| Density: | 1.5g/cm3 |
| Bolling_Point: | 381.7ºC at 760mmHg |
| Computational_Chemistry: | ['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :5 ', '6. TPSA 678 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :385 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 165 °C |
| PSA: | 72.05000 |
| MF: | C8H7F3N2O3 |
| More_Info: | ['1 . Melting point(ºC)165'] |
| Vapor_Pressure: | 2.27E-06mmHg at 25°C |
| Exact_Mass: | 236.04100 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2933599090 |
| Safety_Statements: | S26-S36/37/39 |
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