3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate - ≥95% , CAS No.143218-48-8

CAS: 143218-48-8 Cat. No.: C167276 Molecular Weight: 196.59 EC Number: 681-082-0

GRADE & PURITY ≥95%

Synonyms

E79388 | 3-CHLORO-2-HYDROXYPROPANESULFONIC ACID SODIUM SALT hydrate | SCHEMBL4418329 | ZPFGAXXLEFTBEU-UHFFFAOYSA-M | starbld0009840 | 3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate | sodium 3-chloro-2-hydroxypropane-1-sulfonate hydrate | MF

Storage

Room temperature

Shipped In

Normal

Overview

3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate is a novel anionic agent.

3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate was used:

• to prepare negatively charged probe particles to investigate effect of nanoporosity of cellulosic fibers on their streaming potential and their interactions with cationic polyelectrolytes

• to prepare surface-derivatized microcrystalline cellulose (MCC) particles having either a strong positive or a strong negative zeta potential

Specifications

Synonyms

E79388 | 3-CHLORO-2-HYDROXYPROPANESULFONIC ACID SODIUM SALT hydrate | SCHEMBL4418329 | ZPFGAXXLEFTBEU-UHFFFAOYSA-M | starbld0009840 | 3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt hydrate | sodium 3-chloro-2-hydroxypropane-1-sulfonate hydrate | MF

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488200412
• Canonical Smiles: C(C(CCl)O)S(=O)(=O)[O-].O.[Na+]
• IUPAC Name: sodium;3-chloro-2-hydroxypropane-1-sulfonate;hydrate
• InChIKey: ZPFGAXXLEFTBEU-UHFFFAOYSA-M
• INCHI: 1S/C3H7ClO4S.Na.H2O/c4-1-3(5)2-9(6,7)8;;/h3,5H,1-2H2,(H,6,7,8);;1H2/q;+1;/p-1
• Isomeric SMILES: C(C(CCl)O)S(=O)(=O)[O-].O.[Na+]
• WGK Germany: 3
• Molecular Weight: 196.59
• Reaxy-Rn: 30752201
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30752201&ln=

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 Secondary alcohols Chlorohydrins 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 - Chlorohydrin - Halohydrin - Secondary alcohol - Organic metal halide - Organic alkali metal salt - Organic salt - Organic oxide - Organic oxygen compound - Alkyl chloride - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Alkyl halide - Organic sodium salt - 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.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 256 °C
• Molecular Weight: 214.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 213.968 Da
• Monoisotopic Mass: 213.968 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3