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Heterocyclic compounds

RefChem:73096

CAS 114565-67-2Formula C26H24FN7Na3O13S4+Molar mass 858.75 g/mol
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RefChem:73096 chemical structure, C26H24FN7Na3O13S4+, CAS 114565-67-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
114565-67-2
Formula
C26H24FN7Na3O13S4+
Molar mass
858.75 g/mol
HS code
293369
Category
Heterocyclic compounds

What is RefChem:73096?

Plain description, key identifiers and synonyms

RefChem:73096 is a chemical substance with the molecular formula C26H24FN7Na3O13S4+ and a molar mass of 858.75 g/mol. Its CAS registry number is 114565-67-2. The IUPAC name is trisodium, 2-[[6-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-methylbenzene-1,4-disulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
trisodium, 2-[[6-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-methylbenzene-1,4-disulfonate
CAS number
114565-67-2 CAS number cross-checked
Molecular formula
C26H24FN7Na3O13S4+
InChIKey
UVFWINRYZIXDML-UHFFFAOYSA-L
InChI
InChI=1S/C26H26FN7O13S4.3Na/c1-3-48(36,37)9-8-47-7-6-28-25-30-24(27)31-26(32-25)29-16-4-5-17-15(11-16)12-21(51(44,45)46)22(23(17)35)34-33-18-13-19(49(38,39)40)14(2)10-20(18)50(41,42)43;;;/h3-5,10-13,35H,1,6-9H2,2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,28,29,30,31,32);;;/q;3*+1/p-2
SMILES (canonical and isomeric)
CC1=CC(=C(C=C1S(=O)(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=NC(=NC(=N4)NCCOCCS(=O)(=O)C=C)F)S(=O)(=O)O)S(=O)(=O)[O-].[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
858.75 g/molcalc.
Exact mass
857.9987 Dacalc.
LogP (octanol/water)
-6.61calc.
Topological polar surface area
319.8 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
15calc.
Heavy atoms
54calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
Formal charge
1calc.
Stereocentres
0calc.
Components
4calc.
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(N=Nc2ccc3cc(Nc4ncncn4)ccc3c2)cc1

c1ccc(N=Nc2ccc3cc(Nc4ncncn4)ccc3c2)cc1

4 rings, 25 atoms.

34 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:73096 suppliers

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RefChem:73096 price

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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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Added by a premanufacture notice

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code RefChem:73096 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 RefChem:73096 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:73096, based on the data on this page

What is RefChem:73096?

RefChem:73096 is a chemical substance with the molecular formula C26H24FN7Na3O13S4+ and a molar mass of 858.75 g/mol. Its CAS registry number is 114565-67-2.

What is the CAS number of RefChem:73096?

The CAS registry number of RefChem:73096 is 114565-67-2.

What is the molecular formula and weight of RefChem:73096?

The molecular formula of RefChem:73096 is C26H24FN7Na3O13S4+ and its molar mass is 858.75 g/mol.

Is RefChem:73096 hazardous?

No GHS hazard classification for RefChem:73096 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:73096?

RefChem:73096 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 RefChem:73096?

Post a free request on CompoundList and suppliers of RefChem:73096 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of RefChem:73096?

Suppliers quote RefChem:73096 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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