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

Modify Date: 2024-01-19 17:27:51

1-Benzyl-1H-1,2,4-triazole Structure
1-Benzyl-1H-1,2,4-triazole structure
Common Name 1-Benzyl-1H-1,2,4-triazole
CAS Number 6085-94-5 Molecular Weight 159.18800
Density 1.13g/cm3 Boiling Point 321.6ºC at 760 mmHg
Molecular Formula C9H9N3 Melting Point N/A
MSDS N/A Flash Point 148.3ºC

 Names

Name 1-benzyl-1,2,4-triazole
Synonym More Synonyms

 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

 Synonyms

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)
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