beta-Naphthalenesulfonic acid - for ion pair chromatography, ≥99% , CAS No.532-02-5

CAS: 532-02-5 Cat. No.: N120747 Molecular Weight: 230.22 Beilstein Registry Number: 3659024 EC Number: 208-523-8

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

Q27287821 | Sodium 2-naphthalenesulfonate | Sodium2-naphthalenesulfonate | beta-Naphthalenesulfonic sodium salt | N0016 | sodium beta-naphthalenesulphonate | DTXSID4041442 | I0353 | NCGC00254920-01 | SODIUM 2-NAPHTHALENESULFONATE [II] | Q904204 | EINECS 2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Q27287821 | Sodium 2-naphthalenesulfonate | Sodium2-naphthalenesulfonate | beta-Naphthalenesulfonic sodium salt | N0016 | sodium beta-naphthalenesulphonate | DTXSID4041442 | I0353 | NCGC00254920-01 | SODIUM 2-NAPHTHALENESULFONATE [II] | Q904204 | EINECS 2

Specifications & Purity

for ion pair chromatography, ≥99%

Storage

Room temperature

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;naphthalene-2-sulfonate
• InChIKey: YWPOLRBWRRKLMW-UHFFFAOYSA-M
• INCHI: 1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].[Na+]
• WGK Germany: 2
• RTECS: QK3678000
• Molecular Weight: 230.22
• Beilstein: 3659024
• Reaxy-Rn: 3659024
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3659024&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 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic oxide - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic sodium salt - 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: 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

• Solubility: Soluble in water
• Sensitivity: Hygroscopic
• Molecular Weight: 230.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.001 Da
• Monoisotopic Mass: 230.001 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 296.000
• 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: 2

XLogP3

References

1. Mingyang Gao, Zhiyong Zhang, Wen Zhang, Xiong Yao, Zhuo Cao, Qinzhe Cao, Huaiyang Zhu, Wu Zhao.  (2021)  Carbon nanotubes-reinforced preparation of flat MoS2 nanomaterials: Co-enhancement of acoustic exfoliation efficiency and dye removal capacity.  FlatChem,      [PMID:] [10.1016/j.flatc.2021.100312]

2. Song Jingyao, Teng He, Xu Zhenying, Liu Nianzu, Xu Liang, Liu Lu, Gao Fengxian, Luo Xiliang.  (2021)  Free-standing electrochemical biosensor for carcinoembryonic antigen detection based on highly stable and flexible conducting polypyrrole nanocomposite.  MICROCHIMICA ACTA,  188  (6): (1-9).  [PMID:34057597] [10.1007/s00604-021-04859-1]

3. Juanjuan Feng, Min Sun, Jubai Li, Xia Liu, Shengxiang Jiang.  (2012)  A novel aromatically functional polymeric ionic liquid as sorbent material for solid-phase microextraction.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:22265783] [10.1016/j.chroma.2012.01.010]