2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one

Modify Date: 2025-09-12 11:50:43

2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one Structure
2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one structure
 Common Name 2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one
CAS Number 81743-91-1 Molecular Weight 304.20300
Density N/A Boiling Point 456.1ºC at 760 mmHg
Molecular Formula C14H11NO2Se Melting Point N/A
MSDS N/A Flash Point 229.6ºC

 Names

Name 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one

 Chemical & Physical Properties

Boiling Point 456.1ºC at 760 mmHg
Molecular Formula C14H11NO2Se
Molecular Weight 304.20300
Flash Point 229.6ºC
Exact Mass 304.99500
PSA 31.23000
LogP 2.05630
InChIKey UFNLROFKXBUCTG-UHFFFAOYSA-N
SMILES COc1ccc(-n2[se]c3ccccc3c2=O)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE4140826
CHEMICAL NAME :
1,2-Benzisoselenazol-3(2H)-one, 2-(4-methoxyphenyl)-
CAS REGISTRY NUMBER :
81743-91-1
LAST UPDATED :
199803
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H11-N-O2-Se
MOLECULAR WEIGHT :
304.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2500 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: #44453
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2500 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: #44453

 Synthetic Route

(2-carbonochloridoylphenyl) selenohypochlorite structure

(2-carbonochlor...

CAS#:1441-85-6

p-Anisidine structure

p-Anisidine

CAS#:104-94-9

~64%

2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one Structure

2-(4-Methoxyphe...

CAS#:81743-91-1

Literature: Kamigata, Nobumasa; Iizuka, Hirokazu; Izuoka, Akira; Kobayashi, Michio Bulletin of the Chemical Society of Japan, 1986 , vol. 59, # 7 p. 2179 - 2184
bis(2-carboxyphenyl)diselenide structure

bis(2-carboxyph...

CAS#:6512-83-0

~%

2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one Structure

2-(4-Methoxyphe...

CAS#:81743-91-1

Literature: Kamigata, Nobumasa; Iizuka, Hirokazu; Izuoka, Akira; Kobayashi, Michio Bulletin of the Chemical Society of Japan, 1986 , vol. 59, # 7 p. 2179 - 2184
Anthranilic acid structure

Anthranilic acid

CAS#:118-92-3

~%

2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one Structure

2-(4-Methoxyphe...

CAS#:81743-91-1

Literature: Kamigata, Nobumasa; Iizuka, Hirokazu; Izuoka, Akira; Kobayashi, Michio Bulletin of the Chemical Society of Japan, 1986 , vol. 59, # 7 p. 2179 - 2184
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Chemsrc provides CAS#:81743-91-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one>> amp version: 2-(4-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one

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