Introduction：Basic information about CAS 1803026-58-5|(E)-1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (E)-1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-3-en-1-one(SitagliptinImpurity) |
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| CAS Number | 1803026-58-5 | Molecular Weight | 390.283 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 504.1±60.0 °C at 760 mmHg |
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| Molecular Formula | C16H12F6N4O | Melting Point | / |
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| MSDS | / | Flash Point | 258.7±32.9 °C |
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Names
| Name | (3E)-1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-3-buten-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 504.1±60.0 °C at 760 mmHg |
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| Molecular Formula | C16H12F6N4O |
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| Molecular Weight | 390.283 |
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| Flash Point | 258.7±32.9 °C |
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| Exact Mass | 390.091522 |
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| LogP | 2.22 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.565 |
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| InChIKey | BLDAVCZELRQXFP-OWOJBTEDSA-N |
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| SMILES | O=C(CC=Cc1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1 |
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| Storage condition | 2-8°C |
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| Water Solubility | Insuluble (1.3E-3 g/L) (25 ºC) |
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Synonyms
| (3E)-1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-3-buten-1-one |
| 3-Buten-1-one, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (3E)- |
| (3E)-1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-3-buten-1-one |
