1-Fluoro-4-trifluoromethanesulfonylbenzene
Basic information
- CAS
944-30-9- Standard SMILES
O=S(=O)(c1ccc(F)cc1)C(F)(F)F- InChIKey
GYGWKIHINPEOAM-UHFFFAOYSA-N- Molecular formula
- C7H4F4O2S
- Average molar mass
- 228.17 g/mol
- Monoisotopic mass
- 227.98681319
Names & identifiers
- Preferred name
- 1-Fluoro-4-trifluoromethanesulfonylbenzene
- IUPAC
- 1-fluoro-4-(trifluoromethylsulfonyl)benzene
- English name
- p-fluorophenyl trifluoromethyl sulfone
- Molecular formula
- C7H4F4O2S
- Molecular weight
- 228.16
Names & synonyms
1-fluoro-4-trifluoromethanesulfonylbenzeneRefChem:432843894-842-3944-30-91-fluoro-4-(trifluoromethylsulfonyl)benzeneBenzene, 1-fluoro-4-[(trifluoromethyl)sulfonyl]-MFCD004746581-fluoro-4-[(trifluoromethyl)sulfonyl]benzene1-Fluoro-4-((trifluoromethyl)sulfonyl)benzene4-(Trifluoromethylsulfonyl)fluorobenzeneSCHEMBL7937243DTXSID60395025
Show more names
p-fluorophenyl trifluoromethyl sulfone
GYGWKIHINPEOAM-UHFFFAOYSA-NAKOS0091898444-(trifluoromethylsulfonyl)-1-fluorobenzene1-Fluoro-4-(trifluoromethanesulfonyl)benzeneCS-0497957EN300-31735G27198F779482
Database identifiers
- CAS
944-30-9- PubChem CID
- 3685201
- DTXSID
DTXSID60395025- EC Number
- 894-842-3
- Nikkaji
- J1.923.972A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
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, P317, 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
Suppliers
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Related reactions
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Compound notes
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