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Amines and amides

NF 059 (*Hexasodium salt*)

Also known as 1,3,5-Naphthalenetrisulfonic acid, 8,8'-[1,3-phenylenebis[carbonylimino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-, 8,8'-{Carbonylbis[azanediyl-4,1-phenylenecarbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl]}di(naphthalene-1,3,5-trisulfonic acid)

CAS 111129-55-6Formula C51H40N6O23S6Molar mass 1,297.30 g/mol
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NF 059 (*Hexasodium salt*) chemical structure, C51H40N6O23S6, CAS 111129-55-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
111129-55-6
Formula
C51H40N6O23S6
Molar mass
1,297.30 g/mol
HS code
292421
Category
Amines and amides

What is NF 059 (*Hexasodium salt*)?

Plain description, key identifiers and synonyms

NF 059 (*Hexasodium salt*) is a chemical substance with the molecular formula C51H40N6O23S6 and a molar mass of 1,297.30 g/mol. Its CAS registry number is 111129-55-6. The IUPAC name is 8-[[4-methyl-3-[[4-[[4-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-[[4-methyl-3-[[4-[[4-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
CAS number
111129-55-6 CAS number cross-checked
Molecular formula
C51H40N6O23S6
InChIKey
DKTADTODRXPRNI-UHFFFAOYSA-N
InChI
InChI=1S/C51H40N6O23S6/c1-25-3-5-29(49(60)54-37-15-17-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-7-11-31(12-8-27)52-51(62)53-32-13-9-28(10-14-32)48(59)57-40-20-30(6-4-26(40)2)50(61)55-38-16-18-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
SMILES (canonical and isomeric)
CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C

Synonyms

  • 1,3,5-Naphthalenetrisulfonic acid, 8,8'-[1,3-phenylenebis[carbonylimino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-
  • 8,8'-{Carbonylbis[azanediyl-4,1-phenylenecarbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl]}di(naphthalene-1,3,5-trisulfonic 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
1,297.30 g/molcalc.
Exact mass
1,296.0469 Dacalc.
LogP (octanol/water)
6.74calc.
Topological polar surface area
483.8 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
16calc.
Heavy atoms
86calc.
Rings
8calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.04calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (4 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=C(Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1)Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1

O=C(Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1)Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1

8 rings, 60 atoms.

No other chemical in our database has 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.

NF 059 (*Hexasodium salt*) suppliers

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NF 059 (*Hexasodium salt*) 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

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 NF 059 (*Hexasodium salt*) is traded under.

HS 2924.21Indicative HS code

Ureines and their derivatives, salts thereof

World exports in 2024
$149M
+12.5% vs 2023, imports $208M
2019 to 2024
Top exporters
  1. Germany25.4%
  2. China14.4%
  3. Israel12.0%
Top importers
  1. Brazil28.2%
  2. United States14.0%
  3. Japan10.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for NF 059 (*Hexasodium salt*) is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about NF 059 (*Hexasodium salt*), based on the data on this page

What is NF 059 (*Hexasodium salt*)?

NF 059 (*Hexasodium salt*) is a chemical substance with the molecular formula C51H40N6O23S6 and a molar mass of 1,297.30 g/mol. Its CAS registry number is 111129-55-6.

What is the CAS number of NF 059 (*Hexasodium salt*)?

The CAS registry number of NF 059 (*Hexasodium salt*) is 111129-55-6.

What is the molecular formula and weight of NF 059 (*Hexasodium salt*)?

The molecular formula of NF 059 (*Hexasodium salt*) is C51H40N6O23S6 and its molar mass is 1,297.30 g/mol.

Is NF 059 (*Hexasodium salt*) hazardous?

No GHS hazard classification for NF 059 (*Hexasodium salt*) 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 NF 059 (*Hexasodium salt*)?

NF 059 (*Hexasodium salt*) is usually classified under HS code 292421 (Ureines and their derivatives, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy NF 059 (*Hexasodium salt*)?

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What is the price of NF 059 (*Hexasodium salt*)?

Suppliers quote NF 059 (*Hexasodium salt*) 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 NF 059 (*Hexasodium salt*)

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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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