1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole,hydrochloride

Modify Date: 2025-09-18 19:30:45

1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole,hydrochloride Structure
1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole,hydrochloride structure
 Common Name 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole,hydrochloride
CAS Number 98518-98-0 Molecular Weight 321.75900
Density N/A Boiling Point 480.3ºC at 760mmHg
Molecular Formula C15H16ClN3O3 Melting Point N/A
MSDS N/A Flash Point 244.3ºC

 Names

Name 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole,hydrochloride

 Chemical & Physical Properties

Boiling Point 480.3ºC at 760mmHg
Molecular Formula C15H16ClN3O3
Molecular Weight 321.75900
Flash Point 244.3ºC
Exact Mass 321.08800
PSA 62.31000
LogP 3.11620
InChIKey SDIPTCBXBABUAN-UHFFFAOYSA-N
SMILES Cl.c1ccc2oc(C3(Cn4cncn4)OCCCO3)cc2c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4093436
CHEMICAL NAME :
1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, monohydrochloride
CAS REGISTRY NUMBER :
98518-98-0
LAST UPDATED :
199610
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H15-N3-O3.Cl-H
MOLECULAR WEIGHT :
321.79

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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Chemsrc provides CAS#:98518-98-0 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole,hydrochloride>> amp version: 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole,hydrochloride

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