Disodium 1,4-Butanedisulfonate - ≥98% , CAS No.36589-61-4

CAS: 36589-61-4 Cat. No.: D154760 Molecular Weight: 262.20 EC Number: 609-262-6

GRADE & PURITY ≥98%

Synonyms

BCP31833 | Sodium 1,4-Butanedisulfonate | SODIUM 1,4-BUTANE-DISULFONATE | Disodium 1,4-Butanedisulfonate | SCHEMBL917845 | 1,4-Butanedisulfonic acid, ion(2-) | NSC-240399 | disodium butane-1,4-disulfonate | MFCD00059839 | Butane-1,4-disulfonic Acid Disodi

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

BCP31833 | Sodium 1, 4-Butanedisulfonate | SODIUM 1, 4-BUTANE-DISULFONATE | Disodium 1, 4-Butanedisulfonate | SCHEMBL917845 | 1, 4-Butanedisulfonic acid, ion(2-) | NSC-240399 | disodium butane-1, 4-disulfonate | MFCD00059839 | Butane-1, 4-disulfonic Acid Disodi

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187601
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187601
• Canonical Smiles: C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;butane-1,4-disulfonate
• InChIKey: LEUIUWYZAHKPSE-UHFFFAOYSA-L
• INCHI: 1S/C4H10O6S2.2Na/c5-11(6,7)3-1-2-4-12(8,9)10;;/h1-4H2,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2
• Isomeric SMILES: C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
• Molecular Weight: 262.20
• Reaxy-Rn: 3771251
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3771251&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 Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 262.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 261.956 Da
• Monoisotopic Mass: 261.956 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 240.000
• 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