Methyl Fluorosulfonate (stabilized with KF) [for Esterification] - ≥98%(T) , CAS No.421-20-5

CAS: 421-20-5 Cat. No.: M158649 Molecular Weight: 114.09 EC Number: 207-004-3

GRADE & PURITY ≥98%(T)

Synonyms

Methyl fluorosulphonate | CCRIS 1135 | METHYL FLUOROSULFONATE [MI] | AS-80940 | Methyl fluorosulphate | fluorosulfonyloxymethane | E78840 | methylfluorosulfonate | METHYL FLUOROSULFONATE [HSDB] | UNII-N015VFJ94Z | EINECS 207-004-3 | MBXNQZHITVCSLJ-UHFFFAO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Methyl fluorosulphonate | CCRIS 1135 | METHYL FLUOROSULFONATE [MI] | AS-80940 | Methyl fluorosulphate | fluorosulfonyloxymethane | E78840 | methylfluorosulfonate | METHYL FLUOROSULFONATE [HSDB] | UNII-N015VFJ94Z | EINECS 207-004-3 | MBXNQZHITVCSLJ-UHFFFAO

Specifications & Purity

≥98%(T)

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%(T)

Names and Identifiers

• Pubchem Sid: 504751876
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751876
• Canonical Smiles: COS(=O)(=O)F
• IUPAC Name: fluorosulfonyloxymethane
• InChIKey: MBXNQZHITVCSLJ-UHFFFAOYSA-N
• INCHI: 1S/CH3FO3S/c1-5-6(2,3)4/h1H3
• Isomeric SMILES: COS(=O)(=O)F
• Molecular Weight: 114.09
• Reaxy-Rn: 1098714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098714&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen 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: Heat sensitive；Moisture sensitive
• Refractive Index: 1.33
• Flash Point(°C): 10 °C
• Boil Point(°C): 93°C
• Melt Point(°C): -95 °C
• Molecular Weight: 114.100 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 113.979 Da
• Monoisotopic Mass: 113.979 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 107.000
• 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