Methyl fluorosulfate
Basic information
- CAS
421-20-5- Standard SMILES
COS(=O)(=O)F- InChIKey
MBXNQZHITVCSLJ-UHFFFAOYSA-N- Molecular formula
- CH3FO3S
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 113.97869318
Overview
methylating agent, very toxic; HF & sulfuric acid generated when in contact with water; structure
Names & identifiers
- Preferred name
- Methyl fluorosulfate
- IUPAC
- fluorosulfonyloxymethane
- English name
- Methyl fluorosulfonate
- Molecular formula
- CH3FO3S
- Molecular weight
- 114.1
Names & synonyms
Methyl fluorosulfateRefChem:817752METHYL FLUOROSULFONATE421-20-5Magic methylMethyl fluorosulphonatefluorosulfonyloxymethanemethylfluorosulfonateMethyl fluorosulphateMethyl fluosulfonatemethyl sulfurofluoridateFluorosulfuric Acid Methyl Ester
Show more names
magicmethylmethylfluorosulfatemethylfluosulfonateMethyl SulfofluoridateMethylfluorosulphonate97%Methyl fluorosulphate 97%
Fluorosulfuric acid, methyl esterN015VFJ94ZMFCD00014721Methyl Fluorosulfonate (stabilized with KF) [for Esterification]CCRIS 1135HSDB 4375EINECS 207-004-3CH3FO3S
Database identifiers
- CAS
421-20-5- PubChem CID
- 9870
- DTXSID
DTXSID8073180- UNII
- N015VFJ94Z
- EC Number
- 207-004-3
- Nikkaji
- J53.975I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesSchoenflies notation
Density1.427 @ 16°C
Boiling Point92 °C @760 [mm Hg]
Physical DescriptionColorless liquid with an ethereal odor; [Hawley] Cloudy colorless or yellow liquid; [MSDSonline]
Physicochemical properties
- Melting point
- -95 ° · -95°
- Boiling point
- 93 °C · 93 °C
- Density
- 1.45 · 1.45
- refractive index
- 20 · nD20 1.3326
- Flash point
- 10 ℃ · 10℃
- form
- liquid
- Merck
- 6075 · 6075
- CAS DataBase Reference
- 421 · 421-20-5(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards Summary
Extremely toxic; May cause pulmonary edema; [Merck Index] Reacts with moisture producing corrosive vapor; A strong tissue irritant; [Hawley] Evolves hydrofluoric and sulfuric acid on contact with water; [ChemIDplus] Corrosive to skin of rabbits; May cause pulmonary edema and corneal damage; Emergency treatment: see Hydrogen fluoride. [HSDB] A mutagen; Causes lacrimation and dyspnea in lethal-dose inhalation studies of rats; [RTECS] An irritant; May cause serious eye injury; May cause pulmonary edema; [MSDSonline]
Highly Hazardous SubstanceChemical: Methyl Fluorosulfate
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety & protection
Preventive MeasuresMETHYL FLUOROSULFATE SHOULD BE ASSUMED TO BE EXTREMELY TOXIC & SHOULD ALWAYS BE HANDLED WITH SUITABLE PRECAUTIONS.
Protective Action Criteria (PAC)
0.0021 [ppm]
0.023 [ppm]
Chemistry & industry
Uses & manufacturing
UsesUsed as methylating agent in organic synthesis; [Merck Index]
Applications
UsesIn organic synthesis as methylating agent.
Upstream & downstream products
Upstream raw materials
Related reactions
119 records
Compound notes
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