Methanesulfonic anhydride - ≥98% , CAS No.7143-01-3

CAS: 7143-01-3 Cat. No.: M100809 Molecular Weight: 174.2 Beilstein Registry Number: 972316 EC Number: 230-442-1

GRADE & PURITY ≥98%

Synonyms

A837175 | F0001-1835 | Mesyl anhydride | EN300-25979 | Methanesulphonic acid anhydride | UNII-J492U7J4PB | MFCD00052338 | methanesulfonic acid anhydride | methane-sulfonic acid anhydride | methylsulfonic acid anhydride | C2H6O5S2 | Mesic anhydride | Metha

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Methanesulfonic anhydride is the acid anhydride of methanesulfonic acid. Like methanesulfonyl chloride, it may be used to generate mesylates (methanesulfonyl esters).
May be used to generate mesylates (methanesulfonyl esters).

Specifications

Synonyms

A837175 | F0001-1835 | Mesyl anhydride | EN300-25979 | Methanesulphonic acid anhydride | UNII-J492U7J4PB | MFCD00052338 | methanesulfonic acid anhydride | methane-sulfonic acid anhydride | methylsulfonic acid anhydride | C2H6O5S2 | Mesic anhydride | Metha

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)OS(=O)(=O)C
• IUPAC Name: methylsulfonyl methanesulfonate
• InChIKey: IZDROVVXIHRYMH-UHFFFAOYSA-N
• INCHI: 1S/C2H6O5S2/c1-8(3,4)7-9(2,5)6/h1-2H3
• Isomeric SMILES: CS(=O)(=O)OS(=O)(=O)C
• WGK Germany: 3
• UN Number: 3261
• Molecular Weight: 174.2
• Beilstein: 972316
• Reaxy-Rn: 972316
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972316&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 anhydrides
• Alternative Parents: Sulfonyls Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic anhydride - Sulfonyl - 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 anhydrides. These are organic compounds having the structure RS(=O)2OS(=O)2R', where R = organyl group and R' = H or organyl group.
• 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: May be used to generate mesylates (methanesulfonyl esters).
• Sensitivity: Hygroscopic
• Boil Point(°C): 125°C
• Melt Point(°C): 69-70°C
• Molecular Weight: 174.200 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 173.966 Da
• Monoisotopic Mass: 173.966 Da
• Topological Polar Surface Area: 94.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 227.000
• 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

References

1. Shuang Liu, Jing Yan, Junqin Shi, Xuezhuang Li, Junping Zhang, Xuanyi Wang, Ningjing Cai, Quanhai Fang, Qiuyu Zhang, Yi Yan.  (2022)  Rational design of cobaltocenium-containing polythioether type metallo-polyelectrolytes as HCl corrosion inhibitors for mild steel.  Polymer Chemistry,  14  (3): (330-342).  [PMID:] [10.1039/D2PY01263D]