m-Fluorophenyl trifluoromethanesulfonate
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Basic information
- CAS
57606-65-2- Standard SMILES
O=S(=O)(Oc1cccc(F)c1)C(F)(F)F- InChIKey
LKAKRVBLXMUOHC-UHFFFAOYSA-N- Molecular formula
- C7H4F4O3S
- Average molar mass
- 244.17 g/mol
- Monoisotopic mass
- 243.98172781
Names & identifiers
- Preferred name
- m-Fluorophenyl trifluoromethanesulfonate
- IUPAC
- (3-fluorophenyl) trifluoromethanesulfonate
- English name
- m-Fluorophenyl trifluoromethanesulfonate
- Molecular formula
- C7H4F4O3S
- Molecular weight
- 244.16
Names & synonyms
57606-65-2m-Fluorophenyl trifluoromethanesulfonateDTXSID70338665RefChem:351561DTXCID10289748LKAKRVBLXMUOHC-UHFFFAOYSA-N3-Fluorophenyl trifluoromethanesulphonate3-Fluorophenyl trifluoromethanesulfonate(3-fluorophenyl) trifluoromethanesulfonateSCHEMBL778690MFCD189742753-Fluorophenyl trifluoromethanesulfonate #
Show more names
3-fluorophenyltrifluoromethylsulfonylacidesterMethanesulfonic acid, 1,1,1-trifluoro-, 3-fluorophenyl ester
AKOS038287393BS-52720DB-298084F71604F863691
Database identifiers
- CAS
57606-65-2- PubChem CID
- 550560
- DTXSID
DTXSID70338665- Nikkaji
- J3.806.985C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 235.6 · 235.6±40.0 °C(Predicted)
- Density
- 1.574 · 1.574±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
- RIDADR
- 2927 · UN2927
- HazardClass
- 6.1 · 6.1, 8
- HS Code
- 2905190098 · 2905190098
- Limited Quantities
- 100 ml · 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
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
- ridadr
- UN2927
- hs_code
- 2905190098
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 6.1, 8
- Hazard statements
- H314
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P260-P264-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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