Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
Basic information
- CAS
646-58-2- Standard SMILES
CCN(CC)CC.O=S(=O)(O)C(F)(F)F- InChIKey
TVBIVRGNYNBFCD-UHFFFAOYSA-N- Molecular formula
- C7H16F3NO3S
- Average molar mass
- 251.27 g/mol
- Monoisotopic mass
- 251.08029903
Names & identifiers
- Preferred name
- Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
- IUPAC
- N,N-diethylethanamine;trifluoromethanesulfonic acid
- English name
- trifluoromethanesulphonic acid, compound with triethylamine (1:1)
- Molecular formula
- C6H15N.CHF3O3S
- Molecular weight
- 251.27
Names & synonyms
646-58-2Triethylamine salt of trifluoromethanesulfonic acidDTXSID70883524EINECS 211-475-0RefChem:156929DTXCID601023051SCHEMBL610462Trifluoromethanesulfonic acid--N,N-diethylethanamine (1/1)Trifluoromethanesulphonic acid, compound with triethylamine (1:1)triethylammonium triflatetirethylammomium trifluoromethanesulfonateMethanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
Database identifiers
- CAS
646-58-2- PubChem CID
- 71565
- DTXSID
DTXSID70883524- EC Number
- 211-475-0
Properties
Computed structural properties
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 34.3 °C · 34.3 °C
- Boiling point
- 312.5 °C · 312.5 °C
- Density
- 1.279 E-4-9.77E-4 · 1.279E-4-9.77E-4 g/cm3
- EPA Substance Registry System
- Methanesulfonic acid, trifluoro-, compd. with N,N-diethylethanamine (1:1) (646-58-2)
- TSCA
- TSCA listed
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…