Benzenesulfonic acid, 3-nitro-, sodium salt


Chemical Name: Benzenesulfonic acid, 3-nitro-, sodium salt
CAS Number: 127-68-4
Product Number: AG000WIN(AGN-PC-0PILX7)
Synonyms:
MDL No:
Molecular Formula: C6H4NNaO5S
Molecular Weight: 225.1544

Identification/Properties


Properties
MP:
350 °C
BP:
217.5°C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Solubility:
water: soluble50mg/mL, clear to slightly hazy, faintly yellow to yellow
Computed Properties
Molecular Weight:
225.15g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
224.971g/mol
Monoisotopic Mass:
224.971g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
274
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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