4-(Trifluoromethylsulfonyl)anisole
Basic information
- CAS
15183-74-1- Standard SMILES
COc1ccc(S(=O)(=O)C(F)(F)F)cc1- InChIKey
YZMRPUPSJOQDBS-UHFFFAOYSA-N- Molecular formula
- C8H7F3O3S
- Average molar mass
- 240.2 g/mol
- Monoisotopic mass
- 240.00679974
Names & identifiers
- Preferred name
- 4-(Trifluoromethylsulfonyl)anisole
- IUPAC
- 1-methoxy-4-(trifluoromethylsulfonyl)benzene
- English name
- 1-Methoxy-4-trifluoromethanesulfonyl-benzene
- Molecular formula
- C8H7F3O3S
- Molecular weight
- 240.2
Names & synonyms
15183-74-14-(Trifluoromethylsulfonyl)anisoleDTXSID90344662RefChem:97593DTXCID00295737YZMRPUPSJOQDBS-UHFFFAOYSA-N1-Methoxy-4-trifluoromethanesulfonyl-benzene1-Methoxy-4-((trifluoromethyl)sulfonyl)benzene1-methoxy-4-(trifluoromethylsulfonyl)benzeneSCHEMBL14345059MFCD049729894-(1,1,1-trifluoromethansulfonyl)-anisole
Show more names
4-(1,1,1-TRIFLUOROMETHANESULFONYL)ANISOLEBenzene, 1-methoxy-4-[(trifluoromethyl)sulfonyl]-
1-Methoxy-4-(trifluoromethanesulfonyl)benzene1-Methoxy-4-[(trifluoromethyl)sulfonyl]benzene #
Database identifiers
- CAS
15183-74-1- PubChem CID
- 598639
- DTXSID
DTXSID90344662- Nikkaji
- J581.529K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
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Compound notes
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