1-phenyl-1H-1,2,4-triazole

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Names

[ CAS No. ]:
13423-60-4

[ Name ]:
1-phenyl-1H-1,2,4-triazole

[Synonym ]:
N-phenyl-1,2,4-triazole
1H-1,2,4-Triazole,1-phenyl
1-phenyl-1,2,4-triazole
1-phenyl-H-1,2,4-triazole
1-Phenyl-1,2,4-triazol

Chemical & Physical Properties

[ Density]:
1.16g/cm3

[ Boiling Point ]:
292.3ºC at 760mmHg

[ Molecular Formula ]:
C8H7N3

[ Molecular Weight ]:
145.16100

[ Flash Point ]:
130.6ºC

[ Exact Mass ]:
145.06400

[ PSA ]:
30.71000

[ LogP ]:
1.26730

[ Vapour Pressure ]:
0.00184mmHg at 25°C

[ Index of Refraction ]:
1.632

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5075000
CHEMICAL NAME :
1H-1,2,4-Triazole, 1-phenyl-
CAS REGISTRY NUMBER :
13423-60-4
BEILSTEIN REFERENCE NO. :
0116495
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H7-N3
MOLECULAR WEIGHT :
145.18
WISWESSER LINE NOTATION :
T5NN DNJ AR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
674 mg/kg
TOXIC EFFECTS :
Behavioral - anticonvulsant Behavioral - somnolence (general depressed activity)
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 121,443,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
155 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,778,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
261 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,778,1958

Safety Information

[ Hazard Codes ]:
Xi

Precursor & DownStream

Precursor

  • 1,2,4-Triazole
  • Bromobenzene
  • Iodobenzene
  • bis(acetato-O)triphenylbismuth(V)
  • Phenyltrimethoxysilane
  • (Z)-Methanimidic acid
  • Phenylhydrazine
  • Phenylhydrazine hydrochloride
  • 1,2,4-Triazolidine-3,5-dione,1-phenyl-
  • 1,2,3-triazine

DownStream

  • 1,2,4-Triazole
  • phenyl-(2-phenyl-1,2,4-triazol-3-yl)methanone
  • 1-(4-Nitrophenyl)-1H-1,2,4-Triazole
  • Benzyl alcohol

Related Compounds

  • 1-phenyl-1H-1,2,4-triazole-3-thiol
  • 5-bromo-1-phenyl-1H-1,2,4-triazole
  • 3,5-dimethyl-1-phenyl-1H-1,2,4-triazole
  • 3-(Chloromethyl)-1-phenyl-1H-1,2,4-triazole
  • 1-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
  • 1-phenyl-1H-1,2,4-triazole-5-carboxylic acid