1-(4-(2,2-Difluoroethanesulfonyl)phenyl)ethan-1-one
Basic information
- CAS
1354952-58-1- Standard SMILES
CC(=O)c1ccc(S(=O)(=O)CC(F)F)cc1- InChIKey
SUHSCSXTBSWBOG-UHFFFAOYSA-N- Molecular formula
- C10H10F2O3S
- Average molar mass
- 248.25 g/mol
- Monoisotopic mass
- 248.03187167
Names & identifiers
- Preferred name
- 1-(4-(2,2-Difluoroethanesulfonyl)phenyl)ethan-1-one
- IUPAC
- 1-[4-(2,2-difluoroethylsulfonyl)phenyl]ethanone
- English name
- 1-[4-(2,2-difluoroethanesulfonyl)phenyl]ethan-1-one
- Molecular formula
- C10H10F2O3S
- Molecular weight
- 248.25
Names & synonyms
1-[4-(2,2-difluoroethanesulfonyl)phenyl]ethan-1-one1354952-58-11-(4-(2,2-Difluoroethanesulfonyl)phenyl)ethan-1-oneRefChem:424253992-742-51-[4-(2,2-difluoroethylsulfonyl)phenyl]ethanone1-{4-[(2,2-difluoroethane)sulfonyl]phenyl}ethan-1-oneEEC95258AKOS024113904EN300-86564Z1258992905Ethanone, 1-[4-[(2,2-difluoroethyl)sulfonyl]phenyl]-
Database identifiers
- CAS
1354952-58-1- PubChem CID
- 54595337
- EC Number
- 992-742-5
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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