Introduction:Basic information about CAS 6631-89-6|3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE |
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| CAS Number | 6631-89-6 | Molecular Weight | 216.27900 |
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| Density | 1.07g/cm3 | Boiling Point | 353.6ºC at 760 mmHg |
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| Molecular Formula | C13H16N2O | Melting Point | 105-108ºC |
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| MSDS | / | Flash Point | 167.7ºC |
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Names
| Name | 5-tert-butyl-2-phenyl-4H-pyrazol-3-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.07g/cm3 |
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| Boiling Point | 353.6ºC at 760 mmHg |
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| Melting Point | 105-108ºC |
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| Molecular Formula | C13H16N2O |
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| Molecular Weight | 216.27900 |
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| Flash Point | 167.7ºC |
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| Exact Mass | 216.12600 |
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| PSA | 32.67000 |
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| LogP | 2.32600 |
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| Index of Refraction | 1.564 |
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| InChIKey | NOSULZKBEJXMKJ-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)C1=NN(c2ccccc2)C(=O)C1 |
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Safety Information
| Hazard Codes | Xi |
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| Safety Phrases | S22-S24/25 |
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| HS Code | 2933199090 |
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Customs
| HS Code | 2933199090 |
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| 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% |
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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 |