3-Chloromethyl-1,2,4-triazolin-5-one

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Names

[ CAS No. ]:
252742-72-6

[ Name ]:
3-Chloromethyl-1,2,4-triazolin-5-one

[Synonym ]:
3H-1,2,4-triazol-3-one, 5-(chloromethyl)-1,2-dihydro-
3H-1,2,4-Triazol-3-one, 5-(chloromethyl)-2,4-dihydro-
3-chloromethyl-1,2,4-triazolin-5-one
5-(Chloromethyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
5-Chloromethyl-2,4-dihydro-[1,2,4]triazol-3-one

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Molecular Formula ]:
C3H4ClN3O

[ Molecular Weight ]:
133.536

[ Exact Mass ]:
133.004288

[ PSA ]:
61.54000

[ LogP ]:
-1.31

[ Vapour Pressure ]:
7.35E-08mmHg at 25°C

[ Index of Refraction ]:
1.711

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Semicarbazide hydrochloride
  • 2-Chloro-1,1,1-Trimethoxyethane
  • 5-hydroxymethyl-2,4-dihydro-[1,2,4]triazol-3-one

DownStream

  • Ent-Aprepitant
  • Aprepitant
  • (1R,2R,3R)-Aprepitant
  • 3-(AMINOMETHYL)-1H-1,2,4-TRIAZOL-5(4H)-ONE

Related Compounds

  • 3-(chloromethyl)-1,2,4,5-tetrafluorobenzene
  • 4-Benzyl-3-bromo-2-1,2,4-triazolin-5-one
  • 1-amino-3-phenyl-Δ2-1,2,4-triazolin-5-one
  • 1-benzylideneamino-3-phenyl-Δ2-1,2,4-triazolin-5-one
  • 1-amino-4-methyl-3-phenyl-Δ2-1,2,4-triazolin-5-one
  • 5-hydroxymethyl-2,4-dihydro-[1,2,4]triazol-3-one