1-Benzyl-1H-1,2,4-triazole

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Names

[ CAS No. ]:
6085-94-5

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

[Synonym ]:
N-(phenylmethyl)-1H-1,2,4-triazole
1-benzyl[1,2,4]triazole
N-benzyl-1,2,4-triazole
1-benzyl-1H-1,2,4-triazole
1-(phenylmethyl)-1H-1,2,4-triazole
1H-1,2,4-TRIAZOLE,1-BENZYL
1H-1,2,4-Triazole,1-(phenylmethyl)

Chemical & Physical Properties

[ Density]:
1.13g/cm3

[ Boiling Point ]:
321.6ºC at 760 mmHg

[ Molecular Formula ]:
C9H9N3

[ Molecular Weight ]:
159.18800

[ Flash Point ]:
148.3ºC

[ Exact Mass ]:
159.08000

[ PSA ]:
30.71000

[ LogP ]:
1.32640

[ Index of Refraction ]:
1.613

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4095000
CHEMICAL NAME :
1H-1,2,4-Triazole, 1-benzyl-
CAS REGISTRY NUMBER :
6085-94-5
BEILSTEIN REFERENCE NO. :
0118646
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N3
MOLECULAR WEIGHT :
159.21
WISWESSER LINE NOTATION :
T5NN DNJ A1R

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 :
720 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 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
250 ug/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
RDMIDP Quarterly Reviews on Drug Metabolism and Drug Interactions. (Freund Pub. House, Suite 500, Chesham House, 150 Regent St., London W1R 5FA, UK) V.3- 1980- Volume(issue)/page/year: 4,237,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2,4-Triazole
  • Benzyl bromide
  • Benzyl chloride
  • 4-amino-1-benzyl-1,2,4-triazolium chloride
  • 1-trimethylsilyl-1,2,4-triazole
  • Benzyl alcohol
  • 4-benzyl-4H-1,2,4-triazole
  • 1-Methyl-5-(1,2,4-triazolyl)phosphonic acid diethyl ester
  • 1-benzyl-1H-1,2,4-triazol-5-yl phosphonoc acid diethyl ester
  • 4H-1,2,4-Triazol-4-amine

DownStream

  • 1,2,4-Triazole
  • Diphenylacetylene
  • 1,4-dibenzyl-1,5-dihydro-1,2,4-triazol-1-ium,chloride
  • 2-benzyl-2H-benzo[d][1,2,3]triazole
  • 1-Benzyl-1H-benzo[d][1,2,3]triazole

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 1-(5-Methylthiophen-2-yl)butan-1-amine hydrochloride
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide