2-(hydroxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5 ,7,9-tetrazabicyclo[4.3.0]nona-2,5,7-trien-4-one

Modify Date: 2024-04-05 17:48:58

2-(hydroxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5 ,7,9-tetrazabicyclo[4.3.0]nona-2,5,7-trien-4-one Structure
2-(hydroxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5 ,7,9-tetrazabicyclo[4.3.0]nona-2,5,7-trien-4-one structure
Common Name 2-(hydroxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5 ,7,9-tetrazabicyclo[4.3.0]nona-2,5,7-trien-4-one
CAS Number 168153-00-2 Molecular Weight 400.39300
Density 1.6g/cm3 Boiling Point 698.5ºC at 760 mmHg
Molecular Formula C20H16N8O2 Melting Point N/A
MSDS N/A Flash Point 376.2ºC

 Names

Name 7-(hydroxymethyl)-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

 Chemical & Physical Properties

Density 1.6g/cm3
Boiling Point 698.5ºC at 760 mmHg
Molecular Formula C20H16N8O2
Molecular Weight 400.39300
Flash Point 376.2ºC
Exact Mass 400.14000
PSA 137.74000
LogP 1.34780
Vapour Pressure 1.77E-20mmHg at 25°C
Index of Refraction 1.821

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ6157410
CHEMICAL NAME :
(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-(hydroxymethyl)-6-((2'-(1H-tetrazol-5-yl)(1,1'- biphenyl)-4-yl)methyl)-
CAS REGISTRY NUMBER :
168153-00-2
LAST UPDATED :
199806
DATA ITEMS CITED :
1

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 :
>300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5387747