Sodium 2-chloroethanesulfonate monohydrate - ≥98% , CAS No.15484-44-3

CAS: 15484-44-3 Cat. No.: S105653 Molecular Weight: 184.57 Beilstein Registry Number: 5649200 EC Number: 239-508-4 PubChem CID: 23666332

GRADE & PURITY ≥98%

Synonyms

Sodium 2-chloroethanesulfonate monohydrate | 2-Chloroethanesulfonic acid sodium salt monohydrate | FT-0637232 | SCHEMBL10696932 | Sodium 2-chloroethanesulfonate Hydrate | EN300-33502 | D71129 | MFCD00149546 | Sodium 2-chloroethanesulfonate monohydrate, 98

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Usually used as sulfoethylating agent in the preparation of sulfoethyl cellulose.

Specifications

Synonyms

Sodium 2-chloroethanesulfonate monohydrate | 2-Chloroethanesulfonic acid sodium salt monohydrate | FT-0637232 | SCHEMBL10696932 | Sodium 2-chloroethanesulfonate Hydrate | EN300-33502 | D71129 | MFCD00149546 | Sodium 2-chloroethanesulfonate monohydrate, 98

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769521
• Canonical Smiles: C(CCl)S(=O)(=O)[O-].O.[Na+]
• IUPAC Name: sodium;2-chloroethanesulfonate;hydrate
• InChIKey: OSEJMOGPHHVJJG-UHFFFAOYSA-M
• INCHI: 1S/C2H5ClO3S.Na.H2O/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;1H2/q;+1;/p-1
• Isomeric SMILES: C(CCl)S(=O)(=O)[O-].O.[Na+]
• WGK Germany: 3
• PubChem CID: 23666332
• Molecular Weight: 184.57
• Beilstein: 5649200
• Reaxy-Rn: 5649202

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic metal halides Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Organic metal halide - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic oxide - Organic oxygen compound - Organosulfur compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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 (0.1g/mL)
• Sensitivity: Hygroscopic
• Melt Point(°C): 292°C
• Molecular Weight: 184.580 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.957 Da
• Monoisotopic Mass: 183.957 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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. Yanhuang Wu, Wenhua Zhang, Qingchun Ge.  (2018)  Piperazine-Based Functional Materials as Draw Solutes for Desalination via Forward Osmosis.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.8b02796]

2. Zhiwei Ding, Rongpeng Yu, Chaoyang Li, Yiran Li, Liangyin Xiang, Yingli Zhao, Zhanchao Liu, Yinhua Jiang, Jianming Pan, Yan Liu.  (2024)  A novel polysulfone ultrafiltration membrane constructed with the sandwich-like structure SGO-ZnO for ultra-easy water transport and enhanced anti-fouling.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.130110]