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-(But-3-en-1-yl)-6-oxo-1,6-dihydropyridine-3-carbonitrile
  • 2-Methyl-6,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-4(5H)-one
  • 5-Bromo-3-indoxyl-beta-D-galactopyranoside-6-sulfate sodium salt
  • [(2-Bromopyrimidin-4-yl)imino]dimethyl-lambda6-sulfanone
  • (3S)-3-(2-bromo-5-hydroxyphenyl)-3-hydroxypropanoic acid
  • 2-[(3-Bromophenoxy)methyl]-1-methylpyrrolidine
  • benzyl N-benzyl-N-(1-cyclopropylethyl)carbamate
  • benzyl N-(2,4,6-tribromophenyl)carbamate
  • {7,7-Dimethyl-1-oxaspiro[4.5]decan-2-yl}methanol
  • benzyl N-(4-bromo-2,6-dichlorophenyl)carbamate
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