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Nitriles, nitro and azo compounds

RefChem:579983

CAS 71042-99-4Formula C40H32Cu2N6Na4O18S4Molar mass 1,232.04 g/mol
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RefChem:579983 chemical structure, C40H32Cu2N6Na4O18S4, CAS 71042-99-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71042-99-4
Formula
C40H32Cu2N6Na4O18S4
Molar mass
1,232.04 g/mol
HS code
292700
Category
Nitriles, nitro and azo compounds

What is RefChem:579983?

Plain description, key identifiers and synonyms

RefChem:579983 is a chemical substance with the molecular formula C40H32Cu2N6Na4O18S4 and a molar mass of 1,232.04 g/mol. Its CAS registry number is 71042-99-4. The IUPAC name is dicopper, tetrasodium, morpholine, 3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
dicopper, tetrasodium, morpholine, 3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
CAS number
71042-99-4
Molecular formula
C40H32Cu2N6Na4O18S4
InChIKey
QKACYLULFHRVCB-UHFFFAOYSA-F
InChI
InChI=1S/C32H22N4O16S4.2C4H9NO.2Cu.4Na/c37-25-11-15(1-7-23(25)33-35-29-21-5-3-19(53(41,42)43)9-17(21)13-27(31(29)39)55(47,48)49)16-2-8-24(26(38)12-16)34-36-30-22-6-4-20(54(44,45)46)10-18(22)14-28(32(30)40)56(50,51)52;2*1-3-6-4-2-5-1;;;;;;/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);2*5H,1-4H2;;;;;;/q;;;2*+2;4*+1/p-8
SMILES (canonical and isomeric)
C1COCCN1.C1COCCN1.C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

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
1,232.04 g/molcalc.
Exact mass
1,229.8839 Dacalc.
LogP (octanol/water)
-10.38calc.
Topological polar surface area
413 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
24calc.
Rotatable bonds
9calc.
Heavy atoms
74calc.
Rings
8calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
9calc.
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, c1ccc2c(N=Nc3ccc(-c4ccc(N=Nc5cccc6ccccc56)cc4)cc3)cccc2c1

c1ccc2c(N=Nc3ccc(-c4ccc(N=Nc5cccc6ccccc56)cc4)cc3)cccc2c1

6 rings, 36 atoms.

50 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:579983 suppliers

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RefChem:579983 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: Inactive 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:579983 is traded under.

HS 2927.00Indicative HS code

Diazo-, azo- or azoxy compounds

World exports in 2024
$571M
+6.1% vs 2023, imports $525M
2019 to 2024
Top exporters
  1. China47.0%
  2. Indonesia13.1%
  3. Japan9.3%
Top importers
  1. United States10.2%
  2. India * partner reported9.1%
  3. South Korea9.1%

* Partner reported figures, a lower bound.

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

The HS code shown for RefChem:579983 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:579983, based on the data on this page

What is RefChem:579983?

RefChem:579983 is a chemical substance with the molecular formula C40H32Cu2N6Na4O18S4 and a molar mass of 1,232.04 g/mol. Its CAS registry number is 71042-99-4.

What is the CAS number of RefChem:579983?

The CAS registry number of RefChem:579983 is 71042-99-4.

What is the molecular formula and weight of RefChem:579983?

The molecular formula of RefChem:579983 is C40H32Cu2N6Na4O18S4 and its molar mass is 1,232.04 g/mol.

Is RefChem:579983 hazardous?

No GHS hazard classification for RefChem:579983 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:579983?

RefChem:579983 is usually classified under HS code 292700 (Diazo-, azo- or azoxy-compounds). This is indicative, confirm it with your customs broker before shipping.

Where can I buy RefChem:579983?

Post a free request on CompoundList and suppliers of RefChem:579983 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of RefChem:579983?

Suppliers quote RefChem:579983 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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