Basic information
- CAS
155064-25-8- Standard SMILES
CC(C)(C)c1cc(OS(=O)(=O)C(F)(F)F)cc(C(C)(C)C)c1- InChIKey
NMKZEDAODGHHEC-UHFFFAOYSA-N- Molecular formula
- C15H21F3O3S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.11635019
Names & identifiers
- Preferred name
- 3,5-Di-tert-butylphenyl trifluoromethanesulfonate
- IUPAC
- (3,5-ditert-butylphenyl) trifluoromethanesulfonate
- English name
- 3,5-Di-tert-butylphenyl trifluoromethanesulfonate
- Molecular formula
- C15H21F3O3S
- Molecular weight
- 338.39
Names & synonyms
155064-25-83,5-Di-tert-butylphenyl trifluoromethanesulfonateDTXSID50565755RefChem:271539DTXCID60516531622-842-33,5-Bis(2-Methyl-2-Propanyl)Phenyl Trifluoromethanesulfonate(3,5-ditert-butylphenyl) trifluoromethanesulfonateSCHEMBL17235403,5-di-tert-butylphenyl triflateAKOS0159163703 5-DI-TERT-BUTYLPHENYL TRIFLUOROMETHAN&
Show more names
3,5-bis(1,1-dimethylethyl)phenyl trifluoromethanesulfonateMethanesulfonic acid, 1,1,1-trifluoro-, 3,5-bis(1,1-dimethylethyl)phenyl ester
Database identifiers
- CAS
155064-25-8- PubChem CID
- 14938656
- DTXSID
DTXSID50565755- EC Number
- 622-842-3
- Nikkaji
- J2.547.853C
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 24 · 24-29 °C(lit.)
- Boiling point
- 327.2 · 327.2±42.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers2 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
2 records
Compound notes
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