Introduction:Basic information about CAS 764667-65-4|(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one |
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| CAS Number | 764667-65-4 | Molecular Weight | 406.283 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 513.9±60.0 °C at 760 mmHg |
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| Molecular Formula | C16H12F6N4O2 | Melting Point | 82-84ºC |
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| MSDS | / | Flash Point | 264.6±32.9 °C |
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Names
| Name | 1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 513.9±60.0 °C at 760 mmHg |
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| Melting Point | 82-84ºC |
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| Molecular Formula | C16H12F6N4O2 |
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| Molecular Weight | 406.283 |
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| Flash Point | 264.6±32.9 °C |
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| Exact Mass | 406.086456 |
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| PSA | 68.09000 |
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| LogP | 1.46 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.580 |
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| InChIKey | QAEDTLFWHIEVPK-UHFFFAOYSA-N |
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| SMILES | O=C(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F |
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| Storage condition | Refrigerator |
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 1,3-Butanedione, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)- |
| 1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione |
| 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one |
| rac-Sitagliptin 3-Ketone |
| T56 AN CNN GN&TJ BXFFF GV1V1R BF DF EF |
| 1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione |
| 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butane-2-one |
| (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one |