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Heterocyclic compounds

Ferrospectral

Also known as Ferrozine, 3-(2-Pyridyl)-5,6-di(4-phenylsulfonic acid)-1,2,4-triazine, disodium salt, 4,4'-(3-(2-Pyridyl)-triazine-5,6-diyl)dibenzenesulfonic acid disodium salt

CAS 28048-33-1Formula C20H12N4Na2O6S2Molar mass 514.45 g/molEC 248-797-6
GHS signal word: Warning. Pictograms: Harmful or irritant 6 suppliers listed
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Ferrospectral chemical structure, C20H12N4Na2O6S2, CAS 28048-33-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28048-33-1
Formula
C20H12N4Na2O6S2
Molar mass
514.45 g/mol
EC number
248-797-6
HS code
293369
Category
Heterocyclic compounds

What is Ferrospectral?

Plain description, key identifiers and synonyms

Ferrospectral is a chemical substance with the molecular formula C20H12N4Na2O6S2 and a molar mass of 514.45 g/mol. Its CAS registry number is 28048-33-1. The IUPAC name is disodium, 4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, 4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
CAS number
28048-33-1 CAS number cross-checkedOther or deprecated CAS: 69898-45-9
EC number
248-797-6
Molecular formula
C20H12N4Na2O6S2
UNII
29J2CIW9PK
MDL number
MFCD00041027
InChIKey
DDIHLFCSEHAOJZ-UHFFFAOYSA-L
InChI
InChI=1S/C20H14N4O6S2.2Na/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;2*+1/p-2
SMILES (canonical and isomeric)
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+].[Na+]

Synonyms

  • Ferrozine
  • 3-(2-Pyridyl)-5,6-di(4-phenylsulfonic acid)-1,2,4-triazine, disodium salt
  • 4,4'-(3-(2-Pyridyl)-triazine-5,6-diyl)dibenzenesulfonic acid disodium salt
  • 4,4'-(3-(2-Pyridinyl)-1,2,4-triazine-5,6-diyl)bis-benzenesulfonic acid, disodium salt
  • Benzenesulfonic acid, 4,4'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-, sodium salt (1:2)
  • Monosodium Salt Ferrozine
  • Benzenesulfonic acid, 4,4'-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, sodium salt (1:2)
  • Ferrozine Disodium Salt
  • Sodium 4,4'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dibenzenesulfonate
  • Ferrozin
  • Ferrozine monosodium salt
  • 3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine Disodium Salt
  • Ferrozine disodium salt hydrate
  • Benzenesulfonic acid, 4,4'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-, disodium salt
  • disodium, 4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
  • sodium 4,4'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dibenzenesulfonate hydrate
  • Benzenesulfonic acid, 4,4'-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, disodium salt
  • disodium 4-[3-(pyridin-2-yl)-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzene-1-sulfonate
  • disodium,4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
  • 3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine disodium salt hydrate
  • 4,4'-(3-(2-Pyridinyl)-1,2,4-triazine-5,6-diyl)bis-benzenesulfonic acid,disodium salt
  • C20H12N4Na2O6S2
  • Benzenesulfonic acid, 4,4'-(3-(2-pyridyl)-triazine-5,6-diyl)di-, disodium salt
  • Disodium 4,4'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)bis(benzenesulphonate)
  • 3-(2-pyridyl)-5,6-di(p-sulfophenyl)1,2,4-triazine disodium salt
Show all 36 synonyms
  • Sodium4,4'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dibenzenesulfonate
  • 4,4'-[3-(2-Pyridyl)-1,2,4-triazine-5,6-diyl]bis(benzenesulfonic Acid) Disodium Salt
  • Benzenesulfonic acid, 4,4'-(3-(2-pyridyl)-as-triazine-5,6-diyl)di-, disodium salt
  • Disodium 4,4'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6- diyl)bis(benzenesulphonate)
  • Disodium 4,4'-[3-(2-Pyridyl)-1,2,4-triazine-5,6-diyl]bis(benzenesulfonate)
  • Disodium 4,4'-[3-(2-Pyridyl)-1,2,4-triazine-5,6-diyl]bis(benzenesulfonate) Hydrate
  • Disodium 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]di(benzene-1-sulfonate)
  • disodium, 4-[3-(2-pyridyl)-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
  • sodium 4-[3-(pyridin-2-yl)-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
  • 4,4'-(3-(2-Pyridinyl)-1,2,4-triazine-5,6-diyl)bis- benzenesulfonic acid, disodium salt
  • 4,4'-[3-(2-Pyridyl)-1,2,4-triazine-5,6-diyl]bis(benzenesulfonic Acid) Disodium Salt Hydrate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
514.45 g/molcalc.
Exact mass
513.9994 Dacalc.
LogP (octanol/water)
-3.92calc.
Topological polar surface area
166 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
5calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccccc2)cc1

c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccccc2)cc1

4 rings, 24 atoms, the 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine ring system.

13 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Ferrospectral suppliers

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Where suppliers are based

6 suppliers in 3 countries

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Ferrospectral price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Indicators and Reagents
  • Iron Chelating Agents

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ferrospectral is traded under.

HS 2933.69Indicative HS code

Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…

World exports in 2024
$2.46B
+1.8% vs 2023, imports $2.44B
2019 to 2024
Top exporters
  1. China53.6%
  2. Germany11.5%
  3. India * partner reported8.4%
Top importers
  1. United States13.5%
  2. Brazil9.6%
  3. Germany9.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Ferrospectral is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ferrospectral, based on the data on this page

What is Ferrospectral?

Ferrospectral is a chemical substance with the molecular formula C20H12N4Na2O6S2 and a molar mass of 514.45 g/mol. Its CAS registry number is 28048-33-1. The IUPAC name is disodium, 4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate.

What is the CAS number of Ferrospectral?

The CAS registry number of Ferrospectral is 28048-33-1. Other or deprecated CAS numbers: 69898-45-9.

What is the molecular formula and weight of Ferrospectral?

The molecular formula of Ferrospectral is C20H12N4Na2O6S2 and its molar mass is 514.45 g/mol.

What is Ferrospectral used for?

Known uses and roles of Ferrospectral include indicators and reagents and iron chelating agents.

Is Ferrospectral hazardous?

Ferrospectral carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ferrospectral?

Ferrospectral is usually classified under HS code 293369 (Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ferrospectral?

CompoundList lists 6 suppliers of Ferrospectral in China, Canada and Switzerland. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ferrospectral?

Suppliers quote Ferrospectral on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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