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Optical brighteners

RefChem:897472

CAS 16596-97-7Formula C41H24N8Na4O12S4Molar mass 1,040.92 g/molEC 240-655-1
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RefChem:897472 chemical structure, C41H24N8Na4O12S4, CAS 16596-97-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
16596-97-7
Formula
C41H24N8Na4O12S4
Molar mass
1,040.92 g/mol
EC number
240-655-1
HS code
320420
Category
Optical brighteners

What is RefChem:897472?

Plain description, key identifiers and synonyms

RefChem:897472 is a chemical substance with the molecular formula C41H24N8Na4O12S4 and a molar mass of 1,040.92 g/mol. Its CAS registry number is 16596-97-7. The IUPAC name is tetrasodium, 2-[4-[(E)-2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
tetrasodium, 2-[4-[(E)-2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate
CAS number
16596-97-7
EC number
240-655-1
Molecular formula
C41H24N8Na4O12S4
InChIKey
VJLOCFYWROIYIL-FRKVPWKGSA-J
InChI
InChI=1S/C41H28N8O12S4.4Na/c1-23-18-28(48-44-35-16-10-26-19-30(62(50,51)52)14-15-31(26)40(35)46-48)13-17-34(23)43-42-27-11-8-24(37(20-27)63(53,54)55)6-7-25-9-12-29(21-38(25)64(56,57)58)49-45-36-22-39(65(59,60)61)32-4-2-3-5-33(32)41(36)47-49;;;;/h2-22H,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4/b7-6+,43-42?;;;;
Canonical SMILES
Cc1cc(-n2nc3ccc4cc(S(=O)(=O)[O-])ccc4c3n2)ccc1N=Nc1ccc(C=Cc2ccc(-n3nc4cc(S(=O)(=O)[O-])c5ccccc5c4n3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]
Isomeric SMILES
CC1=C(C=CC(=C1)N2N=C3C=CC4=C(C3=N2)C=CC(=C4)S(=O)(=O)[O-])N=NC5=CC(=C(C=C5)/C=C/C6=C(C=C(C=C6)N7N=C8C=C(C9=CC=CC=C9C8=N7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

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
1,040.92 g/molcalc.
Exact mass
1,039.9987 Dacalc.
LogP (octanol/water)
-6.01calc.
Topological polar surface area
314.9 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
10calc.
Heavy atoms
69calc.
Rings
9calc.
Aromatic rings
9calc.
Fraction sp3 carbons
0.02calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
5calc.
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, C(=Cc1ccc(-n2nc3ccc4ccccc4c3n2)cc1)c1ccc(N=Nc2ccc(-n3nc4ccc5ccccc5c4n3)cc2)cc1

C(=Cc1ccc(-n2nc3ccc4ccccc4c3n2)cc1)c1ccc(N=Nc2ccc(-n3nc4ccc5ccccc5c4n3)cc2)cc1

9 rings, 48 atoms.

3 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.

RefChem:897472 suppliers

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RefChem:897472 price

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Uses and applications

What the substance is used for, by industry and function

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 RefChem:897472 is traded under.

HS 3204.20Indicative HS code

Synthetic organic products of a kind used as fluorescent brightening agents

World exports in 2024
$485M
−7.4% vs 2023, imports $474M
2019 to 2024
Top exporters
  1. China31.6%
  2. Germany10.8%
  3. Switzerland * partner reported10.0%
Top importers
  1. United States9.6%
  2. Germany9.1%
  3. Indonesia7.1%

* Partner reported figures, a lower bound.

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

The HS code shown for RefChem:897472 is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:897472, based on the data on this page

What is RefChem:897472?

RefChem:897472 is a chemical substance with the molecular formula C41H24N8Na4O12S4 and a molar mass of 1,040.92 g/mol. Its CAS registry number is 16596-97-7.

What is the CAS number of RefChem:897472?

The CAS registry number of RefChem:897472 is 16596-97-7.

What is the molecular formula and weight of RefChem:897472?

The molecular formula of RefChem:897472 is C41H24N8Na4O12S4 and its molar mass is 1,040.92 g/mol.

What is RefChem:897472 used for?

Known uses and roles of RefChem:897472 include optical brighteners in textiles and leather and optical brighteners in home care and cleaning.

Is RefChem:897472 hazardous?

No GHS hazard classification for RefChem:897472 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 RefChem:897472?

RefChem:897472 is usually classified under HS code 320420 (Synthetic organic products of a kind used as fluorescent brightening agents). This is indicative, confirm it with your customs broker before shipping.

Where can I buy RefChem:897472?

Post a free request on CompoundList and suppliers of RefChem:897472 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of RefChem:897472?

Suppliers quote RefChem:897472 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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