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
Transportation: FeDex/DHL/Ocean shipping /Clients requirement

Application

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);


CAS:252742-72-6 | 5-Chloromethyl-2,4-dihydro-[1,2,4]triazol-3-one


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