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Ferrozine monosodium salt

CAT: 0013-GTR19243792-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243792-01Size:500 mg
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Description
Ferrozine is a spectrophotometric reagent for iron, can react with divalent Fe to form a stable magenta complex species. The complex has an absorption peak at 562 nm.
CAS Number
69898-45-9
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (101.53 mM; Ultrasonic)
Smiles
[Na+].OS (=O) (=O) c1ccnc (c1) -c1nnc (-c2ccc (cc2) S ([O-]) (=O) =O) c (n1) -c1ccccc1
Molecular Formula
C20H13N4NaO6S2
Molecular Weight
492.46
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

ferrozine sodium salt

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CAS Number69898-45-9
PubChem CID23662871
IUPAC Namesodium 4-[3-pyridin-2-yl-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
Molecular FormulaC20H13N4NaO6S2
Molecular Weight492.5
Topological Polar Surface Area180
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity834
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+]
InChI
InChI=1S/C20H14N4O6S2.Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;/h1-12H,(H,25,26,27)(H,28,29,30);/q;+1/p-1
InChIKey
ZGVNYCXXBQPDPQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of ferrozine sodium salt
CAS: 69898-45-9
CID: 23662871
Formula: C20H13N4NaO6S2
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass492.01742078
Monoisotopic Mass492.01742078
Topological Polar Surface Area180 Ų
Heavy Atom Count33
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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