Basic information
- CAS
885950-62-9- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(C)c1- InChIKey
WHMSVBXYAVAYQY-UHFFFAOYSA-N- Molecular formula
- C15H11F5O3S
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 366.03490619
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) 2,4,6-trimethylbenzenesulfonate
- English name
- 2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate
- Molecular formula
- C15H11F5O3S
- Molecular weight
- 366.3
Names & synonyms
885950-62-92,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonateRefChem:2438342,3,4,5,6-PENTAFLUOROPHENYL2,4,6-TRIMETHYLBENZENESULFONATE2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulphonate(2,3,4,5,6-pentafluorophenyl) 2,4,6-trimethylbenzenesulfonatePerfluorophenyl 2,4,6-trimethylbenzenesulfonateMFCD05975138C15H11F5O3SWHMSVBXYAVAYQY-UHFFFAOYSA-N2,4,6-Trimethyl-benzenesulfonic acid pentafluorophenyl esterDTXSID801189798
Show more names
Benzenesulfonic acid, 2,4,6-trimethyl-, 2,3,4,5,6-pentafluorophenyl ester
AKOS005069511CS-036827711X-0218Pentafluorophenyl 2,4,6-trimethylbenzene-1-sulfonate2,3,4,5,6-pentafluorophenyl 2,4,6-trimethylbenzene-1-sulfonate2,3,4,5,6-Pentafluorophenyl 2,4,6-trimethylbenzenesulfonate #
Database identifiers
- CAS
885950-62-9
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 404.5 · 404.5±45.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2921511990 · 2921511990
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
- hs_code
- 2921511990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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