Methane disulfonic acid - ≥96% , CAS No.503-40-2

CAS: 503-40-2 Cat. No.: M352709 Molecular Weight: 176.17 EC Number: 207-966-4

GRADE & PURITY ≥96%

Synonyms

EINECS 207-966-4 | METHANEDISULFONIC ACID | Methionic acid | NSC8541 | Q27261323 | DTXSID3060118 | Methane disulfonic acid | Dipotassium methanedisulphonate | Methionsaure | F16475 | METHANEDISULFONICACID | W-105971 | EINECS 228-543-0 | AS-17428 | Methane

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EINECS 207-966-4 | METHANEDISULFONIC ACID | Methionic acid | NSC8541 | Q27261323 | DTXSID3060118 | Methane disulfonic acid | Dipotassium methanedisulphonate | Methionsaure | F16475 | METHANEDISULFONICACID | W-105971 | EINECS 228-543-0 | AS-17428 | Methane

Specifications & Purity

≥96%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C(S(=O)(=O)O)S(=O)(=O)O
• IUPAC Name: methanedisulfonic acid
• InChIKey: OPUAWDUYWRUIIL-UHFFFAOYSA-N
• INCHI: 1S/CH4O6S2/c2-8(3,4)1-9(5,6)7/h1H2,(H,2,3,4)(H,5,6,7)
• Isomeric SMILES: C(S(=O)(=O)O)S(=O)(=O)O
• Molecular Weight: 176.17
• Reaxy-Rn: 1812619
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1812619&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 oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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: Light sensitive；Moisture sensitive
• Refractive Index: n20D1.58 (Predicted)
• Boil Point(°C): 382.33° C (Predicted)
• Molecular Weight: 176.170 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 175.945 Da
• Monoisotopic Mass: 175.945 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 225.000
• 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: 1