1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide


Chemical Name: 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide
CAS Number: 81-07-2
Product Number: AG003U6G(AGN-PC-03W52O)
Synonyms:
MDL No:
Molecular Formula: C7H5NO3S
Molecular Weight: 183.1845

Identification/Properties


Properties
MP:
226-229 °C(lit.);
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Solubility:
acetone: soluble1g in 12mL(lit.)
Computed Properties
Molecular Weight:
183.181g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
182.999g/mol
Monoisotopic Mass:
182.999g/mol
Topological Polar Surface Area:
71.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
303
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335-H350-H360
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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