CAS 2039-06-7 MFCD00445312-3,5-Diphenyl-4H-1,2,4-Triazole 3,5-二苯基-4H-1,2,4-三唑 TAO{mole}

3,5-Diphenyl-4H-1,2,4-Triazole 3,5-二苯基-4H-1,2,4-三唑

CAS 2039-06-7 MFCD00445312

化学结构图

SMILES: c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1

化学属性

Mol. Formula	C14H11N3
Mol. Weight	221.26

别名和识别编码

Chemical Name	3,5-Diphenyl-4H-1,2,4-Triazole
Wiswesser Line Notation	T5NN DNJ CR& ER
Synonym	3,5-Diphenyl-4H-1,2,4-triazole {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Diphenyl-4H-1,2
CAS Number	2039-06-7
InChIKey	KPKQWXGFEKRQQA-UHFFFAOYSA-N
LabNetwork Molecule ID	LN01041093
PubChem Substance ID	16260
InChI	InChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
Chemical Name Translation	3,5-二苯基-4H-1,2,4-三唑
Canonical SMILES	C1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3
MDL Number	MFCD00188356

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安全信息

RTECSXZ4803000

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

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            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
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

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {}