disodium;4-[N-(4-iodophenyl)imino-N'-(4-nitroanilino)carbamimidoyl]benzene-1,3-disulfonate


Chemical Name: disodium;4-[N-(4-iodophenyl)imino-N'-(4-nitroanilino)carbamimidoyl]benzene-1,3-disulfonate
CAS Number: 150849-53-9
Product Number: AG001MWB(AGN-PC-08W8L9)
Synonyms:
MDL No:
Molecular Formula: C19H13IN5NaO8S2
Molecular Weight: 653.3595

Identification/Properties


Computed Properties
Molecular Weight:
675.336g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
7
Exact Mass:
674.897g/mol
Monoisotopic Mass:
674.897g/mol
Topological Polar Surface Area:
226A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
1020
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



In chemical synthesis, 1,3-Benzenedisulfonic acid, 4-[[2-(4-iodophenyl)diazenyl][2-(4-nitrophenyl)hydrazinylidene]methyl]-, sodium salt (1:1) serves as a versatile reagent with unique properties. This compound is commonly utilized as a catalyst or reagent in organic reactions due to its ability to facilitate complex transformations. Its strategic incorporation in synthetic pathways enables the formation of intricate molecular structures, making it an essential component in the construction of novel compounds. The presence of both sulfonic acid and hydrazine functional groups imparts diverse reactivity, allowing for selective modifications and tailored control over reaction outcomes. Furthermore, the sodium salt form enhances the compound's solubility and stability, making it a convenient and efficient choice for various synthesis procedures.