Basic information
- CAS
339-25-3- Standard SMILES
COc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1- InChIKey
XVEAQFRUUXUAOU-UHFFFAOYSA-N- Molecular formula
- C13H11FO3S
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.04129354
Overview
See also: 1-Fluoro-4-((4-methoxyphenyl)sulfonyl)benzene (annotation moved to).
Names & identifiers
- Preferred name
- 4-Fluorophenyl 4-methoxyphenyl sulfone
- IUPAC
- 1-(4-fluorophenyl)sulfonyl-4-methoxybenzene
- English name
- P-FLUOROPHENYL-P-METHOXYPHENYL SULFONE
- Molecular formula
- C13H11FO3S
- Molecular weight
- 266.29
Names & synonyms
4-fluorophenyl 4-methoxyphenyl sulfone339-25-31-(4-fluorophenyl)sulfonyl-4-methoxybenzeneNSC1086931-fluoro-4-(4-methoxyphenyl)sulfonyl-benzeneSCHEMBL7940609DTXSID10296295AAA33925AKOS024332928NSC-108693DS-0028431-Fluoro-4-(4-methoxybenzene-1-sulfonyl)benzene
Show more names
P-FLUOROPHENYL-P-METHOXYPHENYL SULFONEBenzene, 1-fluoro-4-[(4-methoxyphenyl)sulfonyl]-
Database identifiers
- CAS
339-25-3- PubChem CID
- 268474
- DTXSID
DTXSID10296295- Nikkaji
- J1.998.390K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 88.5 · 88.5-90.1 °C
- Boiling point
- 407.5 · 407.5±30.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
PFALTZ-BAUER[email protected]
ASDI-INTER[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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