Introduction：Basic information about CAS 1234321-81-3|(2Z)-3-(Acetylamino)-4-(2,4,5-trifluorophenyl)-2-butenoic acid methyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (2Z)-3-(Acetylamino)-4-(2,4,5-trifluorophenyl)-2-butenoic acid methyl ester |
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| CAS Number | 1234321-81-3 | Molecular Weight | 287.234 |
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| Density | 1.304±0.06 g/cm3 | Boiling Point | 436.6±45.0 °C at 760 mmHg |
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| Molecular Formula | C13H12F3NO3 | Melting Point | / |
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| MSDS | / | Flash Point | 217.8±28.7 °C |
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Names
| Name | methyl 3-acetamido-4-(2,4,5-trifluorophenyl)but-2-enoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.304±0.06 g/cm3 |
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| Boiling Point | 436.6±45.0 °C at 760 mmHg |
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| Molecular Formula | C13H12F3NO3 |
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| Molecular Weight | 287.234 |
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| Flash Point | 217.8±28.7 °C |
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| Exact Mass | 287.076935 |
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| PSA | 58.89000 |
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| LogP | 2.03 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.495 |
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| InChIKey | IZFJPBWBAPIUAN-UITAMQMPSA-N |
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| SMILES | COC(=O)C=C(Cc1cc(F)c(F)cc1F)NC(C)=O |
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| Water Solubility | Very slightly soluble (0.55 g/L) (25 ºC) |
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Synonyms
| (Z)-methyl-3-N-acetylamino-4-(2,4,5-trifluorophenyl)but-2-enoate |
| (2Z)-3-(Acetylamino)-4-(2,4,5-trifluorophenyl)-2-butenoic acid methyl ester |
| Sitagliptin Impurity 9 |
