4-Amino-3,5-dibenzyl-1,2,4-triazole

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Names

[ CAS No. ]:
17591-59-2

[ Name ]:
4-Amino-3,5-dibenzyl-1,2,4-triazole

[Synonym ]:
3,5-Dibenzyl-[1,2,4]triazol-4-ylamin
4H-1,2,4-Triazole,4-amino-3,5-dibenzyl
3,5-Dibenzyl-4-amino-1,2,4-triazol
3,5-dibenzyl-[1,2,4]triazol-4-ylamine
4-Amino-3,5-dibenzyl-1,2,4-triazole
4H-1,2,4-Triazol-4-amine,3,5-di(phenylmethyl)
3,5-dibenzyl-4-amino-1,2,4-triazole
3,5-dibenzyl-4-amino-1,2,4-(4H)triazole
4-Amino-3,5-dibenzyl-1,2,4-triazol

Chemical & Physical Properties

[ Density]:
1.19g/cm3

[ Boiling Point ]:
513.9ºC at 760 mmHg

[ Molecular Formula ]:
C16H16N4

[ Molecular Weight ]:
264.32500

[ Flash Point ]:
264.6ºC

[ Exact Mass ]:
264.13700

[ PSA ]:
56.73000

[ LogP ]:
2.75470

[ Vapour Pressure ]:
1.13E-10mmHg at 25°C

[ Index of Refraction ]:
1.647

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ3864000
CHEMICAL NAME :
4H-1,2,4-Triazole, 4-amino-3,5-dibenzyl-
CAS REGISTRY NUMBER :
17591-59-2
BEILSTEIN REFERENCE NO. :
0242860
LAST UPDATED :
199806
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H16-N4
MOLECULAR WEIGHT :
264.36
WISWESSER LINE NOTATION :
T5NN DNJ C1R& DZ E1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
133 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11691

Synthetic Route

Precursor & DownStream

Precursor

  • Phenylacetic acid
  • Benzyl cyanide

DownStream


Related Compounds

  • 4-amino-3,5-bis(dimethoxymethyl)-4H-1,2,4-triazole
  • 4-AMINO-3,5-DI-2-PYRIDY-4H-1,2,4-TRIAZOLE
  • [Ag2(μ2-(4-amino-3,5-diisopropyl-1,2,4-triazole)2(NO3)2(CH3CN)]
  • 3,5-Diethyl-4H-1,2,4-triazol-4-amine
  • 3,5-bis(chloromethyl)-1,2,4-triazol-4-amine
  • 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine