6631-89-6
6631-89-6 structure
- Name: 3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE
- Chemical Name: 5-tert-butyl-2-phenyl-4H-pyrazol-3-one
- CAS Number: 6631-89-6
- Molecular Formula: C13H16N2O
- Molecular Weight: 216.27900
- Create Date: 2018-12-20 23:55:10
- Modify Date: 2025-08-24 21:29:12
| Name | 5-tert-butyl-2-phenyl-4H-pyrazol-3-one |
|---|---|
| Synonyms |
3H-Pyrazol-3-one,5-(1,1-dimethylethyl)-2,4-dihydro-2-phenyl
5-tert. Butyl-3,4-dihydro-2-phenyl-2H-pyrazol-3-on 3-tert-Butyl-1-phenyl-2-pyrazolin-5-one MFCD00051762 3-tert-butyl-1-phenyl-1H-pyrazol-5(4H)-one 3-tert-butyl-1-phenyl-2-pyrazol-5-one 5-tert-butyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 5-tert-butyl-2-phenyl-2,4-dihydropyrazol-3-one 3-tert-butyl-1-phenyl-5(1H)-pyrazolone |
| Density | 1.07g/cm3 |
|---|---|
| Boiling Point | 353.6ºC at 760 mmHg |
| Melting Point | 105-108ºC |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.27900 |
| Flash Point | 167.7ºC |
| Exact Mass | 216.12600 |
| PSA | 32.67000 |
| LogP | 2.32600 |
| Index of Refraction | 1.564 |
| Hazard Codes | Xi |
|---|---|
| Safety Phrases | S22-S24/25 |
| HS Code | 2933199090 |
|
~70%
6631-89-6 |
| Literature: Desroses, Matthieu; Jacques-Cordonnier, Marie-Caroline; Llona-Minguez, Sabin; Jacques, Sylvain; Koolmeister, Tobias; Helleday, Thomas; Scobie, Martin European Journal of Organic Chemistry, 2013 , # 26 p. 5879 - 5885 |
|
~63%
6631-89-6 |
| Literature: Xu, Xiu-Hua; Wang, Xin; Liu, Guo-Kai; Tokunaga, Etsuko; Shibata, Norio Organic Letters, 2012 , vol. 14, # 10 p. 2544 - 2547 |
|
~74%
6631-89-6 |
| Literature: Freidmann; Hansel Archiv der Pharmazie, 1983 , vol. 316, # 8 p. 726 - 727 |
| HS Code | 2933199090 |
|---|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |