Basic information
- CAS
677-25-8- Standard SMILES
C=CS(=O)(=O)F- InChIKey
BYPHZHGVWNKAFC-UHFFFAOYSA-N- Molecular formula
- C2H3FO2S
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 109.98377867
Names & identifiers
- Preferred name
- Ethenesulfonyl fluoride
- IUPAC
- ethenesulfonyl fluoride
- English name
- ethylenesulphonyl fluoride
- Molecular formula
- C2H3FO2S
- Molecular weight
- 110.11
Names & synonyms
Show more names
Database identifiers
- CAS
677-25-8- PubChem CID
- 69612
- DTXSID
DTXSID7073226- UNII
- FK3AZ38DKJ
- EC Number
- 211-640-7
- Nikkaji
- J205.977K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 44 · 44-46 °C(Press: 50 Torr)
- Density
- 1.328 g/mL · 1.328 g/mL at 25 °C
- refractive index
- 20 · n20/D1.385
- Flash point
- 40 ℃ · 40℃
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C2H3FO2S/c1-2-6(3,4)5/h2H,1H2
- InChIKey
- BYPHZHGVWNKAFC-UHFFFAOYSA-N
- SMILES
- C(S(F)(=O)=O)=C
- FDA UNII
- 3 AZ38DKJ · FK3AZ38DKJ
- EPA Substance Registry System
- Ethenesulfonyl fluoride (677-25-8)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301+H311+H331-H314-H335-H341
- Precautionary statements
- 202 · P202-P210-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- T,C
- Risk Statements
- 23 · 23/24/25-34-68
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2920 · UN 2920 3(8) / PGII
- WGK Germany
- 3 · 3
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Flam. Liq. 3Muta. 2Skin Corr. 1BSTOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H301+H311+H331 (90.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (97.7%): Toxic in contact with skin [Danger Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H331 (97.7%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (97.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P319, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- wgk
- 3
- ridadr
- UN 2920 3(8) / PGII
- risk_code
- 23/24/25-34-68
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06,GHS08
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H226-H301+H311+H331-H314-H335-H341
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Flam. Liq. 3Muta. 2Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P202-P210-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
UsesEthenesulfonyl fluoride can be used as a reactant to synthesize:β-Arylethenesulfonyl fluorides via palladium(II) acetate-catalyzed Heck-Matsuda reaction with arenediazonium tetrafluoroborates.Bisalkylsulfonyl fluoride(BSF) monomers via Michael addition reaction with amines/anilines. BSF monomers are applicable in the synthesis of polysulfonates.Cyclobutane-fused pyridinyl sulfonyl fluorides by photocatalytic [2 + 2] cycloaddition with pyridones or isoquinolones.
Upstream & downstream products
Downstream products
Suppliers35 total
Related reactions
Compound notes
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