Sodium 3-Bromopropanesulfonate - ≥98% , CAS No.55788-44-8

CAS: 55788-44-8 Cat. No.: S161134 Molecular Weight: 225.03 EC Number: 628-650-6 PubChem CID: 23679056

GRADE & PURITY ≥98%

Synonyms

sodium 3-bromo-1-propanesulfonate | 1-Propanesulfonic acid, 3-bromo-, sodium salt | AKOS025295467 | B1707 | 3-Bromopropanesulfonic acid sodium salt | Sodium 3-bromo-propane-1-sulphonate | LNZDAVYFINUYOH-UHFFFAOYSA-M | DTXSID30635546 | SCHEMBL1037225 | SY0

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

sodium 3-bromo-1-propanesulfonate | 1-Propanesulfonic acid, 3-bromo-, sodium salt | AKOS025295467 | B1707 | 3-Bromopropanesulfonic acid sodium salt | Sodium 3-bromo-propane-1-sulphonate | LNZDAVYFINUYOH-UHFFFAOYSA-M | DTXSID30635546 | SCHEMBL1037225 | SY0

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200509
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200509
• Canonical Smiles: C(CS(=O)(=O)[O-])CBr.[Na+]
• IUPAC Name: sodium;3-bromopropane-1-sulfonate
• InChIKey: LNZDAVYFINUYOH-UHFFFAOYSA-M
• INCHI: 1S/C3H7BrO3S.Na/c4-2-1-3-8(5,6)7;/h1-3H2,(H,5,6,7);/q;+1/p-1
• Isomeric SMILES: C(CS(=O)(=O)[O-])CBr.[Na+]
• WGK Germany: 3
• PubChem CID: 23679056
• Molecular Weight: 225.03
• Reaxy-Rn: 7952459

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 Organobromides Organic sodium salts Organic oxides Hydrocarbon derivatives Alkyl bromides 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 - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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
• Melt Point(°C): 256℃
• Molecular Weight: 225.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.912 Da
• Monoisotopic Mass: 223.912 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 138.000
• 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: 2

XLogP3

References

1. Jiangnan Dai, Shuai Wang, Pan Chen, Xiaohua Tong, Xiaogang Zhao, Chunhai Chen, Hongwei Zhou.  (2023)  Fabrication of ultrafiltration membranes with improved antifouling and antibacterial capability by surface modification of quaternary ammonium.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112083]