3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE
Catalog No: FT-0616391
CAS No: 6631-89-6
- Chemical Name: 3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE
- Molecular Formula: C13H16N2O
- Molecular Weight: 216.28
- InChI Key: NOSULZKBEJXMKJ-UHFFFAOYSA-N
- InChI: InChI=1S/C13H16N2O/c1-13(2,3)11-9-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
| 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: | 5-tert-butyl-2-phenyl-4H-pyrazol-3-one |
|---|---|
| Bolling_Point: | 353.6ºC at 760 mmHg |
| Density: | 1.07g/cm3 |
| MF: | C13H16N2O |
| CAS: | 6631-89-6 |
| Melting_Point: | 105-108ºC |
| Flash_Point: | 167.7ºC |
| FW: | 216.27900 |
| Exact_Mass: | 216.12600 |
|---|---|
| Refractive_Index: | 1.564 |
| LogP: | 2.32600 |
| Bolling_Point: | 353.6ºC at 760 mmHg |
| Density: | 1.07g/cm3 |
| MF: | C13H16N2O |
| Computational_Chemistry: | ['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 327 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :308 ', '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'] |
| PSA: | 32.67000 |
| Melting_Point: | 105-108ºC |
| Flash_Point: | 167.7ºC |
| FW: | 216.27900 |
| Hazard_Codes: | Xi |
|---|---|
| HS_Code: | 2933199090 |
| Safety_Statements: | S22-S24/25 |
