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EINECS558-25-8 molecular structure
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methanesulfonyl fluoride

ChemBase ID: 98066
Molecular Formular: CH3FO2S
Molecular Mass: 98.0967232
Monoisotopic Mass: 97.98377856
SMILES and InChIs

SMILES:
S(=O)(=O)(F)C
Canonical SMILES:
CS(=O)(=O)F
InChI:
InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3
InChIKey:
KNWQLFOXPQZGPX-UHFFFAOYSA-N

Cite this record

CBID:98066 http://www.chembase.cn/molecule-98066.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanesulfonyl fluoride
IUPAC Traditional name
fluoromethyl sulfone
Synonyms
Methanesulphonyl fluoride 98%
Fumette
Mesyl fluoride
Methanesulfonyl fluoride
Methanesulfonyl fluoride
甲基磺酰氟
CAS Number
EINECS558-25-8
558-25-8
EC Number
209-192-2
MDL Number
MFCD00007423
PubChem SID
162084532
24850783
PubChem CID
11207
Chemspider ID
10734
MeSH Name
methanesulfonyl+fluoride
Wikipedia Title
Methanesulfonyl_fluoride

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4825665  LogD (pH = 7.4) -0.4825665 
Log P -0.4825665  Molar Refractivity 15.4682 cm3
Polarizability 6.8109527 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Reacts in water expand Show data source
Apperance
liquid expand Show data source
Boiling Point
123-124 °C(lit.) expand Show data source
123-124°C expand Show data source
123-124°C expand Show data source
124 °C expand Show data source
Flash Point
none°C expand Show data source
Density
1.427 expand Show data source
1.427 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.360 expand Show data source
Hydrophobicity(logP)
0.056 expand Show data source
Odor
pungent expand Show data source
Storage Warning
Toxic/Hygroscopic/Store under inert gas expand Show data source
RTECS
PB2975000 expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3389 expand Show data source
UN3389 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
23-28-34 expand Show data source
26/28-34 expand Show data source
R26/28 R34 expand Show data source
Safety Statements
23-26-36/37/39-45 expand Show data source
9-26-28-36/37/39-45-60 expand Show data source
S9 S26 S28 S36/37/39 S45 S60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS corrosion expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Corrosive
Highly toxic
expand Show data source
GHS Hazard statements
300, 330, 314, 318 expand Show data source
H300-H314-H330 expand Show data source
H300-H330-H314-H318 expand Show data source
GHS Precautionary statements
301+310, 303+361+353, 304+340, 305+351+338, 320, 330, 405, 501 expand Show data source
P260-P264-P280-P284-P305 + P351 + P338-P310 expand Show data source
P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3389 6.1/PG 1 expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Linear Formula
CH3SO2F expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 178950 external link
Packaging
25, 50 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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