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Heterocyclic compounds

Bathocuproine disulfonic acid

Also known as Bathocuproinedisulphonic acid, 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonic acid, Bathocuproine disulfonate

CAS 166301-18-4Formula C26H20N2O6S2Molar mass 520.59 g/mol
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Bathocuproine disulfonic acid chemical structure, C26H20N2O6S2, CAS 166301-18-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
166301-18-4
Formula
C26H20N2O6S2
Molar mass
520.59 g/mol
HS code
293399
Category
Heterocyclic compounds

What is Bathocuproine disulfonic acid?

Plain description, key identifiers and synonyms

Bathocuproine disulfonic acid is a phenanthroline that consists of 1,10-phenanthroline bearing two methyl groups at position 2 and 9 as well as two 4-sulfophenyl groups at positions 4 and 7. It has a role as a chelator. It is an arenesulfonic acid and a member of phenanthrolines. It derives from a hydride of a 1,10-phenanthroline.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[2,9-dimethyl-7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid
CAS number
166301-18-4 CAS number cross-checkedOther or deprecated CAS: 106064-29-3, 73348-75-1
Molecular formula
C26H20N2O6S2
InChIKey
FBKZHCDISZZXDK-UHFFFAOYSA-N
InChI
InChI=1S/C26H20N2O6S2/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34)
SMILES (canonical and isomeric)
CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)C4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O

Synonyms

  • Bathocuproinedisulphonic acid
  • 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonic acid
  • Bathocuproine disulfonate
  • Bathocuproine sulfonate
  • Bathocuproinedisulfonic acid
  • 4-[2,9-dimethyl-7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic Acid
  • 4-[2,9-Dimethyl-7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzene-1-sulfonic acid
  • 4,4'-(2,9-Dimethyl-1,10-phenanthroline-4,7-diyl)di(benzene-1-sulfonic acid)

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
520.59 g/molcalc.
Exact mass
520.0763 Dacalc.
LogP (octanol/water)
5.23calc.
Topological polar surface area
134.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.08calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)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(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

5 rings, 26 atoms, the 4,7-Diphenyl-1,10-phenanthroline ring system.

55 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Bathocuproine disulfonic acid suppliers

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Bathocuproine disulfonic acid 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

Roles

  • chelator
  • ligand

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Bathocuproine disulfonic acid is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Bathocuproine disulfonic acid, based on the data on this page

What is Bathocuproine disulfonic acid?

Bathocuproine disulfonic acid is a phenanthroline that consists of 1,10-phenanthroline bearing two methyl groups at position 2 and 9 as well as two 4-sulfophenyl groups at positions 4 and 7. It has a role as a chelator. It is an arenesulfonic acid and a member of phenanthrolines.

What is the CAS number of Bathocuproine disulfonic acid?

The CAS registry number of Bathocuproine disulfonic acid is 166301-18-4. Other or deprecated CAS numbers: 106064-29-3, 73348-75-1.

What is the molecular formula and weight of Bathocuproine disulfonic acid?

The molecular formula of Bathocuproine disulfonic acid is C26H20N2O6S2 and its molar mass is 520.59 g/mol.

What is Bathocuproine disulfonic acid used for?

Known uses and roles of Bathocuproine disulfonic acid include chelator and ligand.

Is Bathocuproine disulfonic acid hazardous?

No GHS hazard classification for Bathocuproine disulfonic acid is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Bathocuproine disulfonic acid?

Bathocuproine disulfonic acid is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bathocuproine disulfonic acid?

Post a free request on CompoundList and suppliers of Bathocuproine disulfonic acid will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bathocuproine disulfonic acid?

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

Guides for buyers

Practical guides that help when you source, ship or handle Bathocuproine disulfonic acid

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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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