[(fluorosulfonyl)oxy]methane

• ChemBase ID: 98083
• Molecular Formular: CH3FO3S
• Molecular Mass: 114.0961232
• Monoisotopic Mass: 113.97869318
• SMILES: S(=O)(=O)(F)OC
• Canonical SMILES: COS(=O)(=O)F
• InChI: InChI=1S/CH3FO3S/c1-5-6(2,3)4/h1H3
• InChIKey: MBXNQZHITVCSLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(fluorosulfonyl)oxy]methane; methyl fluoranesulfonate
• IUPAC Traditional name: [(fluorosulfonyl)oxy]methane; methyl fluorosulfonate
• Synonyms: Methyl sulphurofluoridate; Methyl fluorosulphate 97%; Methyl Fluorosulfate; METHYL FLUOROSULFONATE; methyl fluorosulphate; Methyl fluorosulphonate; fluorosulfonic acid, methyl ester

Database IDs

• CAS Number: 421-20-5
• EC Number: 207-004-3
• MDL Number: MFCD00014721
• PubChem SID: 162084549
• PubChem CID: 9870
• Chemspider ID: 9486
• Wikipedia Title: Methyl_fluorosulfonate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.014215764
• LogD (pH = 7.4): 0.014215764
• Log P: 0.014215764
• Molar Refractivity: 17.1898 cm^3
• Polarizability: 7.6302266 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -95°C
• Boiling Point: 92-94°C; 93 °C; 93°C
• Flash Point: 17.2°C
• Density: 1.427 g/ml @ 16°C; 1.45; 1.45 g/mL

Safety Information

• Storage Condition: 2-8°C, Desiccate
• Storage Warning: Corrosive
• RTECS: LP0720000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1992
• Hazard Class: 3; 6.1
• Packing Group: II
• Australian Hazchem: 3WE
• Risk Statements: R:11-23
• Safety Statements: S:9-16-29-45
• EU Classification: FT1
• EU Hazard Identification Number: 6.1A
• Emergency Response Guidebook(ERG) Number: 131

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02151650

Purity: 99%
Very strong methylation reagent

Apollo Scientific Ltd - PC5095

Stabilised with KF