1H-1,2,4-Triazole, 3-nitro-1-[(2,4,6-trimethylphenyl)sulfonyl]-


Chemical Name: 1H-1,2,4-Triazole, 3-nitro-1-[(2,4,6-trimethylphenyl)sulfonyl]-
CAS Number: 74257-00-4
Product Number: AG003D3G(AGN-PC-0JVDGH)
Synonyms:
MDL No:
Molecular Formula: C11H12N4O4S
Molecular Weight: 296.3024

Identification/Properties


Properties
MP:
134-139 °C
BP:
533.4 °C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Refractive Index:
1.6270 (estimate)
Solubility:
Soluble in Chloroform.
Computed Properties
Molecular Weight:
296.301g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
296.058g/mol
Monoisotopic Mass:
296.058g/mol
Topological Polar Surface Area:
119A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
460
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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