4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one

Modify Date: 2025-09-30 10:50:30

4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one Structure
4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one structure
Common Name 4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one
CAS Number 56071-25-1 Molecular Weight 294.34400
Density 1.179g/cm3 Boiling Point 491.3ºC at 760 mmHg
Molecular Formula C19H18O3 Melting Point N/A
MSDS N/A Flash Point 243.2ºC

 Names

Name 4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one

 Chemical & Physical Properties

Density 1.179g/cm3
Boiling Point 491.3ºC at 760 mmHg
Molecular Formula C19H18O3
Molecular Weight 294.34400
Flash Point 243.2ºC
Exact Mass 294.12600
PSA 35.53000
LogP 4.05240
Index of Refraction 1.613
InChIKey IKYXQDNXJYSFSA-UHFFFAOYSA-N
SMILES COc1ccc(C=C2CCOc3ccc(C)cc3C2=O)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM5314711
CHEMICAL NAME :
1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-
CAS REGISTRY NUMBER :
56071-25-1
BEILSTEIN REFERENCE NO. :
1255314
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H18-O3
MOLECULAR WEIGHT :
294.37

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 :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 28,37,1989
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