Ethenesulfonyl chloride
Basic information
- CAS
6608-47-5- Standard SMILES
C=CS(=O)(=O)Cl- InChIKey
KFOZNPPBKHYHQD-UHFFFAOYSA-N- Molecular formula
- C2H3ClO2S
- Average molar mass
- 126.56 g/mol
- Monoisotopic mass
- 125.9542282
Names & identifiers
- Preferred name
- Ethenesulfonyl chloride
- IUPAC
- ethenesulfonyl chloride
- English name
- N-(3-methoxyphenyl)-2-morpholin-4-yl-2-oxo-acetamide
- Molecular formula
- C2H3ClO2S
- Molecular weight
- 126.56
Names & synonyms
Ethenesulfonyl chloride6608-47-5RefChem:138379815-225-7KFOZNPPBKHYHQD-UHFFFAOYSA-NMFCD19200056vinylsulfonyl chlorideVinylsulfonyl chloride;Ethenesulfonic acid chlorideVinylsulfonylchlorideEthenesulfonylchlorideEthylenesulfonyl chloride
Show more names
ethyleneylsulfonylacylchloroEthenesulfonyl chloride (6CI, 7CI, 8CI, 9CI, ACI)
Ethylenesulfonyl chloride #vinyl sulfonic acid chlorideSCHEMBL50718N-(3-METHOXYPHENYL)-2-MORPHOLIN-4-YL-2-OXO-ACETAMIDEName: Ethenesulfonic acid chlorideAKOS006333328BS-12671FE157085
Database identifiers
- CAS
6608-47-5- PubChem CID
- 533445
- EC Number
- 815-225-7
- Nikkaji
- J708.426I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 52 · 52-56 °C(Press: 1 Torr)
- Density
- 1.393 g/cm3 · 1.393 g/cm3
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Sparingly), DMSO (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C2H3ClO2S/c1-2-6(3,4)5/h2H,1H2
- InChIKey
- KFOZNPPBKHYHQD-UHFFFAOYSA-N
- SMILES
- C(S(Cl)(=O)=O)=C
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302-H314-H335
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
H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)
Safety data
- hs_code
- 2904990090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- Hazard statements
- H226-H302-H314-H335
- Precautionary statements
- P260-P301+P312-P301+P330+P331-P210
Chemistry & industry
Applications
UsesEthenesulfonyl chloride is a useful reactant for the preparation of oral quinoline-based ALDH1A1 inhibitors as potential antitumor agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
12 records
Compound notes
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