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Heterocyclic compounds

Bufrolin disodium

Also known as Bufrolin sodium, Bufrolin natrium, 1,7-Phenanthroline-2,8-dicarboxylic acid, 6-butyl-1,4,7,10-tetrahydro-4,10-dioxo-, disodium salt

CAS 54545-84-5Formula C18H14N2Na2O6Molar mass 400.30 g/mol
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Bufrolin disodium chemical structure, C18H14N2Na2O6, CAS 54545-84-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54545-84-5
Formula
C18H14N2Na2O6
Molar mass
400.30 g/mol
HS code
293399
Category
Heterocyclic compounds

What is Bufrolin disodium?

Plain description, key identifiers and synonyms

Bufrolin disodium is a chemical substance with the molecular formula C18H14N2Na2O6 and a molar mass of 400.30 g/mol. Its CAS registry number is 54545-84-5. The IUPAC name is disodium, 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate
CAS number
54545-84-5 CAS number cross-checked
Molecular formula
C18H14N2Na2O6
UNII
7CAN0181XN
InChIKey
KMURAXKESYZSRJ-UHFFFAOYSA-L
InChI
InChI=1S/C18H16N2O6.2Na/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14;;/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26);;/q;2*+1/p-2
SMILES (canonical and isomeric)
CCCCC1=CC2=C(C3=C1NC(=CC3=O)C(=O)[O-])NC(=CC2=O)C(=O)[O-].[Na+].[Na+]

Synonyms

  • Bufrolin sodium
  • Bufrolin natrium
  • 1,7-Phenanthroline-2,8-dicarboxylic acid, 6-butyl-1,4,7,10-tetrahydro-4,10-dioxo-, disodium salt
  • 1,7-Phenanthroline-2,8-dicarboxylic acid, 6-butyl-1,4,7,10-tetrahydro-4,10-dioxo-, sodium salt (1:2)
  • Bufrolin sodium (mart.)
  • Bufrolin disodium (mart.)
  • 6-Butyl-1,4,7,10-tetrahydro-4,10-dioxo-1,7-phenanthroline-2,8-dicarboxylic acid disodium salt
  • Disodium 6-butyl-4,10-dioxo-1,4,7,10-tetrahydro-1,7-phenanthroline-2,8-dicarboxylate

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
400.30 g/molcalc.
Exact mass
400.0647 Dacalc.
LogP (octanol/water)
-6.55calc.
Topological polar surface area
146 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.22calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
Lipinski rule of five
Passes (0 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, O=c1cc[nH]c2c1ccc1[nH]ccc(=O)c12

O=c1cc[nH]c2c1ccc1[nH]ccc(=O)c12

3 rings, 16 atoms.

5 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.

Bufrolin disodium suppliers

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Bufrolin disodium 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Bufrolin disodium 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 Bufrolin disodium is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bufrolin disodium, based on the data on this page

What is Bufrolin disodium?

Bufrolin disodium is a chemical substance with the molecular formula C18H14N2Na2O6 and a molar mass of 400.30 g/mol. Its CAS registry number is 54545-84-5. The IUPAC name is disodium, 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylate.

What is the CAS number of Bufrolin disodium?

The CAS registry number of Bufrolin disodium is 54545-84-5.

What is the molecular formula and weight of Bufrolin disodium?

The molecular formula of Bufrolin disodium is C18H14N2Na2O6 and its molar mass is 400.30 g/mol.

Is Bufrolin disodium hazardous?

No GHS hazard classification for Bufrolin disodium 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 Bufrolin disodium?

Bufrolin disodium 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 Bufrolin disodium?

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

What is the price of Bufrolin disodium?

Suppliers quote Bufrolin disodium 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

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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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