1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

Modify Date: 2025-09-23 21:52:36

1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole Structure
1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole structure
Common Name 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CAS Number 98532-69-5 Molecular Weight 331.32300
Density 1.42g/cm3 Boiling Point 531.5ºC at 760 mmHg
Molecular Formula C16H17N3O5 Melting Point N/A
MSDS N/A Flash Point 275.2ºC

 Names

Name 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 531.5ºC at 760 mmHg
Molecular Formula C16H17N3O5
Molecular Weight 331.32300
Flash Point 275.2ºC
Exact Mass 331.11700
PSA 80.77000
LogP 1.94130
Index of Refraction 1.635
InChIKey MARZMUKQVNRKLD-UHFFFAOYSA-N
SMILES COc1cc(OC)c2oc(C3(Cn4cncn4)OCCO3)cc2c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4725000
CHEMICAL NAME :
1H-1,2,4-Triazole, 1-((2-(5,7-dimethoxy-2-benzofuranyl)-1,3-dioxolan-2-y l)methyl)-
CAS REGISTRY NUMBER :
98532-69-5
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H17-N3-O5
MOLECULAR WEIGHT :
331.36

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 :
>1 gm/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: #0130151
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/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: #0130151
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