5-Fluoro-3-sulfamoylmethyl-1,2-benzisoxazole

Modify Date: 2025-09-09 11:21:05

5-Fluoro-3-sulfamoylmethyl-1,2-benzisoxazole Structure
5-Fluoro-3-sulfamoylmethyl-1,2-benzisoxazole structure
Common Name 5-Fluoro-3-sulfamoylmethyl-1,2-benzisoxazole
CAS Number 68291-99-6 Molecular Weight 230.21600
Density 1.589g/cm3 Boiling Point 459.8ºC at 760 mmHg
Molecular Formula C8H7FN2O3S Melting Point N/A
MSDS N/A Flash Point 231.9ºC

 Names

Name (5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.589g/cm3
Boiling Point 459.8ºC at 760 mmHg
Molecular Formula C8H7FN2O3S
Molecular Weight 230.21600
Flash Point 231.9ºC
Exact Mass 230.01600
PSA 94.57000
LogP 2.53650
Index of Refraction 1.633
InChIKey WORADDHHZSLCQT-UHFFFAOYSA-N
SMILES NS(=O)(=O)Cc1noc2ccc(F)cc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE4930500
CHEMICAL NAME :
1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
CAS REGISTRY NUMBER :
68291-99-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-F-N2-O3-S
MOLECULAR WEIGHT :
230.23

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 :
1257 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4172896

 Synthetic Route

~%

5-Fluoro-3-sulfamoylmethyl-1,2-benzisoxazole Structure

5-Fluoro-3-sulf...

CAS#:68291-99-6

Literature: Uno,H. et al. Journal of Medicinal Chemistry, 1979 , vol. 22, p. 180 - 183

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

5-Fluoro-3-sulfamoylmethyl-1,2-benzisoxazole
C-(5-fluoro-benzo[d]isoxazol-3-yl)-methanesulfonamide
1,2-Benzisoxazole-3-methanesulfonamide,5-fluoro
5-Fluoro-1,2-benzisoxazole-3-methanesulfonamide
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