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3,5,6-Trichloro-1,2,4-triazine

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3,5,6-Trichloro-1,2,4-triazine Basic information

Product Name:
3,5,6-Trichloro-1,2,4-triazine
Synonyms:
  • 3,5,6-TRICHLORO-[1,2,4]TRIAZINE
  • Trichloro-1,2,4-triazine
  • 3,5,6-TRICHLORO-1,2,4-TRIAZINE(WS204654)
  • 3,5,6-TRICHL
  • ORO-1,2,4-TRIAZINE(WS204654)
  • 1,2,4-Triazine, 3,5,6-trichloro-
  • 3,5,6-Trichloro-[1,2,4]triazin
  • 6-bromo-5-fluoro-1,3-dihydroindol-5-one
CAS:
873-41-6
MF:
C3Cl3N3
MW:
184.41
Product Categories:
  • Heterocycle-other series
Mol File:
873-41-6.mol
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3,5,6-Trichloro-1,2,4-triazine Chemical Properties

Melting point:
57-58℃
Boiling point:
337.3±45.0 °C(Predicted)
Density 
1.757±0.06 g/cm3(Predicted)
storage temp. 
Inert atmosphere,Store in freezer, under -20°C
pka
-2.55±0.63(Predicted)
InChI
InChI=1S/C3Cl3N3/c4-1-2(5)8-9-3(6)7-1
InChIKey
YHKUFWFVZIIVDL-UHFFFAOYSA-N
SMILES
N1C(Cl)=C(Cl)N=C(Cl)N=1
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Safety Information

HS Code 
2933998090
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3,5,6-Trichloro-1,2,4-triazine Usage And Synthesis

Uses

3,5,6-Trichloro-[1,2,4]triazine (cas# 873-41-6) is a compound useful in organic synthesis.

Synthesis

To 18 g (93.75 mmol) of 5-bromo-6-azauracil in 150 ml of phosphorus oxychloride were added 39.2g (188 mmol) of phosphorus pentachloride and 38 ml ( 240 mmoles) of Nv/V-diethylaniline. The mixture was stirred at 120°C for 5 hours after which period the excess of solvent was evaporated. The residue was several times extracted with carbon tetrachloride. After evaporation of the solvent, the remaining oily residue was put in the refrigerator where it solidified. Yield: 13g (78%) of 3,5,6-Trichloro-1,2,4-triazine.

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