Benzenesulfonic acid, 4,4'-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-,monosodium salt


Chemical Name: Benzenesulfonic acid, 4,4'-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-,monosodium salt
CAS Number: 69898-45-9
Product Number: AG003MAC(AGN-PC-0TX7CC)
Synonyms:
MDL No:
Molecular Formula: C20H13N4NaO6S2
Molecular Weight: 492.4602

Identification/Properties


Properties
MP:
≥300 °C
Storage:
Room Temperature;
Form:
Solid
Solubility:
H2O: soluble50mg/mL
Computed Properties
Molecular Weight:
492.5g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
492.017421g/mol
Monoisotopic Mass:
492.017421g/mol
Topological Polar Surface Area:
180Ų
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
834
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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