Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-


Chemical Name: Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-
CAS Number: 96-93-5
Product Number: AG003IVL(AGN-PC-0L0VKQ)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O6S
Molecular Weight: 234.1866

Identification/Properties


Properties
MP:
325 °C (dec.)(lit.)
BP:
158°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.6490 (estimate)
Computed Properties
Molecular Weight:
234.182g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
233.995g/mol
Monoisotopic Mass:
233.995g/mol
Topological Polar Surface Area:
155A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
344
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:
H316-H319
Precautionary Statements:
P264-P280-P337+P313-P305+P351+P338-P332+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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