4-Fluoronaphthyl methyl sulfone
Basic information
- CAS
59080-18-1- Standard SMILES
CS(=O)(=O)c1ccc(F)c2ccccc12- InChIKey
BFJDLILZBCRIPN-UHFFFAOYSA-N- Molecular formula
- C11H9FO2S
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.03072886
Names & identifiers
- Preferred name
- 4-Fluoronaphthyl methyl sulfone
- IUPAC
- 1-fluoro-4-methylsulfonylnaphthalene
- English name
- Naphthalene, 1-fluoro-4-(Methylsulfonyl)-
- Molecular formula
- C11H9FO2S
- Molecular weight
- 224.25
Names & synonyms
4-Fluoronaphthyl methyl sulfone59080-18-11-fluoro-4-methylsulfonylnaphthalene1-fluoro-4-methanesulfonylnaphthalene1-fluoro-4-(methylsulfonyl)naphthaleneNaphthalene, 1-fluoro-4-(methylsulfonyl)-4-FluoronaphthylmethylsulfoneSCHEMBL4573139DTXSID903778141-fluoro-4-methylsulfonyl-naphthaleneAKOS026672171FS-1788
Show more names
1-Fluoro-4-(methanesulfonyl)naphthaleneF024395
Database identifiers
- CAS
59080-18-1- PubChem CID
- 2769641
- DTXSID
DTXSID90377814
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
1 records
Compound notes
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