3,5-Diphenyl-4H-1,2,4-triazole

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Names

[ CAS No. ]:
2039-06-7

[ Name ]:
3,5-Diphenyl-4H-1,2,4-triazole

[Synonym ]:
3,5-Diphenyl-4H-1,2,4-triazole
1H-1,2,4-TRIAZOLE,3,5-DIPHENYL
3,5-diphenyl-s-triazole
2,5-Diphenyl-1H-1,2,4-triazol
3,5-Diphenyl-1,2,4-triazol
s-Triazole,3,5-diphenyl
3,5-Diphenyl-1,2,4-triazole
3,5-Diphenyl-1H-1,2,4-triazol

Chemical & Physical Properties

[ Density]:
1.197g/cm3

[ Boiling Point ]:
440ºC at 760 mmHg

[ Molecular Formula ]:
C14H11N3

[ Molecular Weight ]:
221.25700

[ Flash Point ]:
206.8ºC

[ Exact Mass ]:
221.09500

[ PSA ]:
41.57000

[ LogP ]:
3.13870

[ Vapour Pressure ]:
6.1E-08mmHg at 25°C

[ Index of Refraction ]:
1.633

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4803000
CHEMICAL NAME :
1H-1,2,4-Triazole, 3,5-diphenyl-
CAS REGISTRY NUMBER :
2039-06-7
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H11-N3
MOLECULAR WEIGHT :
221.28
WISWESSER LINE NOTATION :
T5NN DNJ CR& ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 50,597,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 50,597,1961 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
30 mg/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,1187,1983

Precursor & DownStream

Precursor

DownStream

  • 1-methyl-3,5-diphenyl-1,2,4-triazole

Related Compounds

  • 4-amino-3,5-diphenyl-4H-1,2,4-triazole
  • 4-methyl-3,5-diphenyl-4H-1,2,4-triazole
  • 1-methyl-3,5-diphenyl-4H-1,2,4-triazole
  • 4-benzyl-3,5-diphenyl-4H-1,2,4-triazole
  • 4-(2-Naphthyl)-3,5-diphenyl-4H-1,2,4-triazole
  • 4-(4-bromophenyl)-3,5-diphenyl-4H-1,2,4-triazole
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-[2-oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-[(2-chloro-6-fluorophenyl)formamido]acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-({4H,5H,6H-cyclopenta[b]thiophen-2-yl}formamido)acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(2-carbamoylphenoxy)propanoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-methanesulfonamido-4-methylbenzoate
  • 3-tert-butyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,5S,6R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate
  • methyl octahydro-1H-indole-3a-carboxylate hydrochloride
  • tert-butyl 3-{2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]-2-oxoethyl}-3-ethenylazetidine-1-carboxylate
  • 1-tert-butyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 2-ethylpyrrolidine-1,3-dicarboxylate
  • 6-tert-butyl 8-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 8-fluoro-6-azaspiro[3.4]octane-6,8-dicarboxylate
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