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421-20-5 molecular structure
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[(fluorosulfonyl)oxy]methane

ChemBase ID: 98083
Molecular Formular: CH3FO3S
Molecular Mass: 114.0961232
Monoisotopic Mass: 113.97869318
SMILES and InChIs

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

Cite this record

CBID:98083 http://www.chembase.cn/molecule-98083.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.014215764  LogD (pH = 7.4) 0.014215764 
Log P 0.014215764  Molar Refractivity 17.1898 cm3
Polarizability 7.6302266 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-95°C expand Show data source
Boiling Point
92-94°C expand Show data source
93 °C expand Show data source
93°C expand Show data source
Flash Point
17.2°C expand Show data source
Density
1.427 g/ml @ 16°C expand Show data source
1.45 expand Show data source
1.45 g/mL expand Show data source
Storage Condition
2-8°C, Desiccate expand Show data source
Storage Warning
Corrosive expand Show data source
RTECS
LP0720000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1992 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
3 expand Show data source
6.1 expand Show data source
Packing Group
II expand Show data source
Australian Hazchem
3WE expand Show data source
Risk Statements
R:11-23 expand Show data source
Safety Statements
S:9-16-29-45 expand Show data source
EU Classification
FT1 expand Show data source
EU Hazard Identification Number
6.1A expand Show data source
Emergency Response Guidebook(ERG) Number
131 expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Wikipedia Wikipedia
MP Biomedicals - 02151650 external link
Purity: 99%
Very strong methylation reagent
Apollo Scientific Ltd - PC5095 external link
Stabilised with KF

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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