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CAS:252742-72-6 | 5-Chloromethyl-2,4-dihydro-[1,2,4]triazol-3-one
Molecular Formula:C3H4CIN3O
Molecular Weight:133.54 g/mol
Purity:98%
Package:5g/10g/25g/50g/bulk package
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Product Introduction
Application
5-Chloromethyl-2H-1,2,4-triazolin-3-one(CAS:252742-72-6) is an intermediate used in the synthesis of Aprepitant (A729800) and Fosaprepitant, used as antiemetic drugs.
Specification
ITEMS | SPECIFICATION |
IUPAC Name | 5-(chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one |
MDL No | MFCD07776630 |
Density | 1.8±0.1 g/cm3 |
PSA | 61.54 |
LogP | -1.31 |
Solubility | DMSO, Methanol (Slightly) |
pKa | 7.46±0.20(Predicted) |
Vapour Pressure | 7.35E-08mmHg at 25°C |
Refractive index | 1.711 |
Storage condition | Keep in dark place,Sealed in dry,Room Temperature |
Reference
Wan, W. L., et al.: Chinese Chem. Lett., 24 (12), 118 (2013);
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