4-Methoxyphenyl Trifluoromethanesulfonate
Basic information
- CAS
5788-41-0- Standard SMILES
COc1ccc(OS(=O)(=O)C(F)(F)F)cc1- InChIKey
XSTNIRWDULKNJE-UHFFFAOYSA-N- Molecular formula
- C8H7F3O4S
- Average molar mass
- 256.2 g/mol
- Monoisotopic mass
- 256.00171436
Names & identifiers
- Preferred name
- 4-Methoxyphenyl Trifluoromethanesulfonate
- IUPAC
- (4-methoxyphenyl) trifluoromethanesulfonate
- English name
- 4-Methoxyphenyl trifluoromethanesulfonate
- Molecular formula
- C8H7F3O4S
- Molecular weight
- 256.2
Names & synonyms
4-Methoxyphenyl trifluoromethanesulfonate66107-29-7DTXSID709734745788-41-0RefChem:99667DTXCID801400926677-567-1XSTNIRWDULKNJE-UHFFFAOYSA-N(4-methoxyphenyl) trifluoromethanesulfonate4-MethoxyphenyltriflateMFCD002095964-Methoxyphenyl trifluoromethanesulphonate
Show more names
TIMTEC-BB SBB0064694-(Trifluoromethylsulfonyloxy)anisole4-Methoxyphenol trifluoromethanesulfonate4-MethoxyphenylTrifluoromethanesulfonate>4-Methoxyphenyl trifluoromethanesulphonate 97%1-Methoxy-4-(trifluoromethylsulfonyloxy)benzene1-(Trifluoromethylsulfonyloxy)-4-methoxybenzene
4-Methoxyphenyl TriflateTrifluoromethanesulfonic Acid 4-Methoxyphenyl EsterAKOS015916708PS-11204SY0511904-METHOXYPHENYLTRIFLUOROMETHANESULFONATED842574-methoxyphenyl (trifluoromethyl)sulfonate
Database identifiers
- CAS
5788-41-0、66107-29-7- PubChem CID
- 579337
- DTXSID
DTXSID70973474- EC Number
- 677-567-1
- Nikkaji
- J323.750H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 125 °C/18mm · 125°C/18mm
- Density
- 1.416 · 1.416
- refractive index
- 1.454 · 1.454
- Flash point
- 113 °C · 113 °C
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C8H7F3O4S/c1-14-6-2-4-7(5-3-6)15-16(12,13)8(9,10)11/h2-5H,1H3
- InChIKey
- XSTNIRWDULKNJE-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)S(OC1=CC=C(OC)C=C1)(=O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,T
- Risk Statements
- 23 · 23/24/25-34-40
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2909309090
- risk_code
- 23/24/25-34-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 23-26-36/37/39-45
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-Methoxyphenyl trifluoromethanesulfonate is a useful research chemical.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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