Benzenesulfonic acid, 2-methyl-5-nitro-


Chemical Name: Benzenesulfonic acid, 2-methyl-5-nitro-
CAS Number: 121-03-9
Product Number: AG003B96(AGN-PC-0JK8K7)
Synonyms:
MDL No:
Molecular Formula: C7H7NO5S
Molecular Weight: 217.1992

Identification/Properties


Properties
MP:
135 °C
BP:
500°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6100 (estimate)
Computed Properties
Molecular Weight:
217.195g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
217.004g/mol
Monoisotopic Mass:
217.004g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
314
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:
Danger
UN#:
3261
Hazard Statements:
H290-H314
Precautionary Statements:
P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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