2-Naphthalenesulfonyl Chloride - ≥98%(GC)(T) , CAS No.93-11-8

CAS: 93-11-8 Cat. No.: N159052 Molecular Weight: 226.67 EC Number: 202-219-9

GRADE & PURITY ≥98%(GC)(T)

Synonyms

.beta.-Naphthalenesulfochloride | 2-naphthalene sulfonylchloride | N0018 | NSC133893 | NSC-133893 | DTXSID5059080 | EN300-19464 | 2-Naphthalenesulfonyl chloride, puriss., >=99.0% (AT) | .beta.-Naphthalenesulfonyl chloride | 2-Naphthalenesulfonyl chloride,

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Naphthalenesulfonyl chloride was employed as capping reagent for primary amine to convert histamine to a selective histamine H3-receptor antagonist. It was used for pre-column derivatization during the high-performance liquid chromatographic assay of neomycin sulfate.

Specifications

Synonyms

.beta.-Naphthalenesulfochloride | 2-naphthalene sulfonylchloride | N0018 | NSC133893 | NSC-133893 | DTXSID5059080 | EN300-19464 | 2-Naphthalenesulfonyl chloride, puriss., >=99.0% (AT) | .beta.-Naphthalenesulfonyl chloride | 2-Naphthalenesulfonyl chloride,

Specifications & Purity

≥98%(GC)(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 504751254
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751254
• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)Cl
• IUPAC Name: naphthalene-2-sulfonyl chloride
• InChIKey: OPECTNGATDYLSS-UHFFFAOYSA-N
• INCHI: 1S/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)Cl
• Molecular Weight: 226.67
• Reaxy-Rn: 641898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=641898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-naphthalene sulfonic acids and derivatives
• Alternative Parents: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) 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 Toluene
• Sensitivity: Moisture sensitive
• Boil Point(°C): 200-202°/13mm
• Melt Point(°C): 75-79 °C
• Molecular Weight: 226.680 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 225.986 Da
• Monoisotopic Mass: 225.986 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 294.000
• 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. Yanju Lu, Fengqi Chen, Yuxiang Chen, Jing Wang, Shenlin Huang.  (2024)  Synthesis and antitumor activity of new series of isopimaric heterocyclic sulfonamides derivatives.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2024.120300]