4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione

Names

[ CAS No. ]:
115398-72-6

[ Name ]:
4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione

Chemical & Physical Properties

[ Density]:
1.66g/cm3

[ Boiling Point ]:
416.2ºC at 760 mmHg

[ Molecular Formula ]:
C11H12N4O3S

[ Molecular Weight ]:
280.30300

[ Flash Point ]:
205.5ºC

[ Exact Mass ]:
280.06300

[ PSA ]:
123.22000

[ LogP ]:
1.73050

[ Vapour Pressure ]:
3.89E-07mmHg at 25°C

[ Index of Refraction ]:
1.753

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5358350
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)eth yl)-
CAS REGISTRY NUMBER :
115398-72-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N4-O3-S
MOLECULAR WEIGHT :
280.33

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 :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
INDRBA Indian Drugs. (Indian Drugs Manufacturers' Assoc., 102B, Poonam Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India) V.1- 1963- Volume(issue)/page/year: 25,301,1988

Synthetic Route