Sodium 3-Chloro-2-hydroxypropanesulfonate - ≥95% , CAS No.126-83-0

CAS: 126-83-0 Cat. No.: C105374 Peso molecular: 196.6 Número EC: 204-807-0

GRADE & PURITY ≥95%

Synonyms

3-CHLORO-2-HYDROXYPROPANESULFONATE SODIUM SALT | FT-0673583 | Sodium 2-hydroxy-3-chloropropanesulfonate | sodium;3-chloro-2-hydroxypropane-1-sulfonate | 1-Propanesulfonic acid, 3-chloro-2-hydroxy-, monosodium salt

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-CHLORO-2-HYDROXYPROPANESULFONATE SODIUM SALT | FT-0673583 | Sodium 2-hydroxy-3-chloropropanesulfonate | sodium;3-chloro-2-hydroxypropane-1-sulfonate | 1-Propanesulfonic acid, 3-chloro-2-hydroxy-, monosodium salt

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504769466
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769466
• Sonrisas canónicas: C(C(CCl)O)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;3-chloro-2-hydroxypropane-1-sulfonate
• InChIKey: TZLNJNUWVOGZJU-UHFFFAOYSA-M
• INCHI: 1S/C3H7ClO4S.Na/c4-1-3(5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1
• Isómeros SMILES: C(C(CCl)O)S(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• Peso molecular: 196.6
• Reaxy-Rn: 1100419
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100419&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• 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 - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Punto de fusión (°C): 256°C
• Peso molecular: 196.590 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.957 Da
• Monoisotopic Mass: 195.957 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 10
• 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: 2

XLogP3

Referencias

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