2H-1-Benzopyran-2-one, 8-(2-methoxyethoxy)-3-(1H-tetrazol-5-yl)-

Modify Date: 2024-09-05 21:03:22

2H-1-Benzopyran-2-one, 8-(2-methoxyethoxy)-3-(1H-tetrazol-5-yl)- Structure
2H-1-Benzopyran-2-one, 8-(2-methoxyethoxy)-3-(1H-tetrazol-5-yl)- structure
Common Name 2H-1-Benzopyran-2-one, 8-(2-methoxyethoxy)-3-(1H-tetrazol-5-yl)-
CAS Number 80916-80-9 Molecular Weight 288.25900
Density 1.436g/cm3 Boiling Point 569.7ºC at 760 mmHg
Molecular Formula C13H12N4O4 Melting Point N/A
MSDS N/A Flash Point 298.3ºC

 Names

Name 8-(2-methoxyethoxy)-3-(2H-tetrazol-5-yl)chromen-2-one

 Chemical & Physical Properties

Density 1.436g/cm3
Boiling Point 569.7ºC at 760 mmHg
Molecular Formula C13H12N4O4
Molecular Weight 288.25900
Flash Point 298.3ºC
Exact Mass 288.08600
PSA 103.13000
LogP 0.99830
Index of Refraction 1.621
InChIKey WRUXSVNIFXMCMP-UHFFFAOYSA-N
SMILES COCCOc1cccc2cc(-c3nn[nH]n3)c(=O)oc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ3100680
CHEMICAL NAME :
2H-1-Benzopyran-2-one, 8-(2-methoxyethoxy)-3-(1H-tetrazol-5-yl)-
CAS REGISTRY NUMBER :
80916-80-9
LAST UPDATED :
199609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-N4-O4
MOLECULAR WEIGHT :
288.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0039913
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