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

Modify Date: 2024-01-10 16:53:14

3,5-Diphenyl-4H-1,2,4-triazole Structure
3,5-Diphenyl-4H-1,2,4-triazole structure
 Common Name 3,5-Diphenyl-4H-1,2,4-triazole
CAS Number 2039-06-7 Molecular Weight 221.25700
Density 1.197g/cm3 Boiling Point 440ºC at 760 mmHg
Molecular Formula C14H11N3 Melting Point N/A
MSDS N/A Flash Point 206.8ºC

 Names

Name 3,5-Diphenyl-1H-1,2,4-triazole
Synonym More Synonyms

 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  0

DownStream  1

 Synonyms

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
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