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


Chemical Name: 1H-1,2,4-Triazole, 1-[(2,4,6-trimethylphenyl)sulfonyl]-
CAS Number: 54230-59-0
Product Number: AG003D3F(AGN-PC-0JSA1Y)
Synonyms:
MDL No:
Molecular Formula: C11H13N3O2S
Molecular Weight: 251.3048

Identification/Properties


Properties
MP:
134-135 °C
BP:
438.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.6740 (estimate)
Computed Properties
Molecular Weight:
251.304g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
251.073g/mol
Monoisotopic Mass:
251.073g/mol
Topological Polar Surface Area:
73.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
353
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
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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