Introduction：Basic information about CAS 881995-69-3|Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, methyl ester, (βR)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, methyl ester, (βR)- |
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| CAS Number | 881995-69-3 | Molecular Weight | 247.214 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 316.0±42.0 °C at 760 mmHg |
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| Molecular Formula | C11H12F3NO2 | Melting Point | -145.22°C(lit.) |
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| MSDS | / | Flash Point | 144.9±27.9 °C |
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Names
| Name | Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, methyl ester, (βR) |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 316.0±42.0 °C at 760 mmHg |
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| Melting Point | -145.22°C(lit.) |
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| Molecular Formula | C11H12F3NO2 |
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| Molecular Weight | 247.214 |
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| Flash Point | 144.9±27.9 °C |
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| Exact Mass | 247.082016 |
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| PSA | 52.32000 |
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| LogP | 1.85 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.484 |
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| InChIKey | AWFWTEYDIPQVSG-SSDOTTSWSA-N |
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| SMILES | COC(=O)CC(N)Cc1cc(F)c(F)cc1F |
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Safety Information
Synonyms
| (R)-Methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate |
| (R)-SITAGLIPTIN METHYL-ESTER IMPURITY |
| Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, methyl ester, (βR)- |
| (R)-methyl 3-amino-4-(2,4,5-trifluoro phenyl) butanoate |
| Methyl (3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoate |
