Sodium 4-[3-pyridin-2-yl-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonate

Base Information

• Chemical Name: Sodium 4-[3-pyridin-2-yl-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonate
• CAS No.: 69898-45-9
• Molecular Formula: C20H13N4NaO6S2
• Molecular Weight: 492.468
• European Community (EC) Number: 274-196-3
• DSSTox Substance ID: DTXSID8039744
• Mol file: 69898-45-9.mol

Synonyms:sodium 4-[3-pyridin-2-yl-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonate;Ferrozine sodium;69898-45-9;Ferrozine sodium salt;C20H14N4O6S2.Na;sodium;4-[3-pyridin-2-yl-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonate;C20-H14-N4-O6-S2.Na;Benzenesulfonic acid, 4,4'-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt;3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine, monosodium salt;Sodium 3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]bis(benzene-4,4'-sulphonate) hydrate;Benzenesulfonic acid, 4,4'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-, monosodium salt;Benzenesulfonic acid, 4,4'-[3-(2-pyridinyl)-1,2, 4-triazine-5,6-diyl]bis-, monosodium salt;SCHEMBL164701;DTXSID8039744

Chemical Property of Sodium 4-[3-pyridin-2-yl-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonate

Chemical Property:

• Appearance/Colour: Yellow-green - yellow crystalline powder.
• Melting Point: ≥300 °C
• PSA: 179.89000
• LogP: 4.58000
• Storage Temp.: Store at RT.
• Solubility.: H2O: soluble50mg/mL
• Water Solubility.: Soluble in water (partly).
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 492.01742078
• Heavy Atom Count: 33
• Complexity: 834

Purity/Quality:

98%, ^*data from raw suppliers

4,4''-[3-(2-Pyridinyl)-1,2,4-triazine-5,6-diyl]bisbenzenesulfonicAcidSodiumSalt(1:1) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Indicator Dyes
• Canonical SMILES: C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)O.[Na+]
• Uses: Ferrozine sodium is a ferroin compound that forms a stable magenta-colored solution with the ferrous ion. The complex has an absorption peak at 562 nm and is used as a reagent and indicator for iron. Ferrozin is an organic ligand which is useful as a disposable optical sensor for heavy metal determination.