Naphthol Yellow S - ≥98% , CAS No.846-70-8

CAS: 846-70-8 Cat. No.: N1373383 Molecular Weight: 358.19 Beilstein Registry Number: 11275 EC Number: 212-690-2

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Naphthol yellow S (NYS) is used as a stain for protein basic groups. It is an acidic dye and forms a NYS-protein complex at acidic pH. Combination of feulgen and NYS provides DNA to protein ratio.

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+]
• IUPAC Name: disodium;5,7-dinitro-8-oxidonaphthalene-2-sulfonate
• InChIKey: CTIQLGJVGNGFEW-UHFFFAOYSA-L
• INCHI: 1S/C10H6N2O8S.2Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+]
• RTECS: QK1813000
• Molecular Weight: 358.19
• Beilstein: 11275
• Reaxy-Rn: 3839220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3839220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives Nitronaphthalenes 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Phenoxides Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-nitronaphthalene - 2-nitronaphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Organic salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water; Miscible with Sulphuric acidSlightly soluble in Ethanol
• Molecular Weight: 358.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 357.948 Da
• Monoisotopic Mass: 357.948 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 519.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Xueyan Xue, Nan Xue, Dandan Ouyang, Liuqian Yang, Yanan Wang, Hui Zhu, Aikelaimu Aihemaiti, Jiao Yin.  (2023)  Biochar-Based Single-Atom Catalyst with Fe-N3O-C Configuration for Efficient Degradation of Organic Dyes by Peroxymonosulfate Activation.  ACS Applied Materials & Interfaces,      [PMID:38035388] [10.1021/acsami.3c12518]