Sodium poly[(naphthaleneformaldehyde)sulfonate] - ≥92% , CAS No.9084-06-4

CAS: 9084-06-4 Cat. No.: S196303 EC Number: 618-665-6 PubChem CID: 14640338

GRADE & PURITY ≥92%

Synonyms

9084-06-4|5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid|SCHEMBL3432703|DTXSID00873852|5,5'-Methylenedi(naphthalene-2-sulfonic acid)|76996-62-8

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

9084-06-4 | 5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid | SCHEMBL3432703 | DTXSID00873852 | 5, 5'-Methylenedi(naphthalene-2-sulfonic acid) | 76996-62-8

Specifications & Purity

≥92%

Storage

Room temperature

Shipped In

Normal

Purity

≥92%

Names and Identifiers

• Pubchem Sid: 488198705
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198705
• Canonical Smiles: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)CC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O
• IUPAC Name: 5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
• InChIKey: XQFKOAKYKWUBKQ-UHFFFAOYSA-N
• INCHI: 1S/C21H16O6S2/c22-28(23,24)18-7-9-20-14(3-1-5-16(20)12-18)11-15-4-2-6-17-13-19(29(25,26)27)8-10-21(15)17/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27)
• Isomeric SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)CC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O
• PubChem CID: 14640338

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes
      • Subclass Sulfonated stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Sulfonated stilbenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonated stilbenes
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Sulfonated stilbene - Naphthalene sulfonate - 2-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings.
• External Descriptors: Not available

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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 428.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 428.039 Da
• Monoisotopic Mass: 428.039 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 715.000
• 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: 1

References

1. Xiaofang You, Wenqi Zhang, Xiaoteng Li, Chuandong Ma, Zhisen Li, Qingbiao Wang, Zhenhua Wang, Lin Li.  (2024)  Study on the slurry ability of low-rank coal blended with alkali-modified sludge.  FUEL,      [PMID:] [10.1016/j.fuel.2024.133771]

2. Chuandong Ma, Wenqi Zhang, Zhisen Li, Jida Niu, Qingbiao Wang, Zhenhua Wang, Lin Li, Xiaofang You.  (2024)  Study on the slurry characteristics and surface microscopic interactions mechanism of diesel modified low-rank coal.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.124237]