Basic information
- CAS
1827-97-0- Standard SMILES
O=S(=O)(O)CC(F)(F)F- InChIKey
XGMDYIYCKWMWLY-UHFFFAOYSA-N- Molecular formula
- C2H3F3O3S
- Average molar mass
- 164.11 g/mol
- Monoisotopic mass
- 163.97549962
Names & identifiers
- Preferred name
- Ethanesulfonic acid, 2,2,2-trifluoro-
- IUPAC
- 2,2,2-trifluoroethanesulfonic acid
- English name
- 2,2,2-Trifluoroethanesulphonicacid
- Molecular formula
- C2H3F3O3S
- Molecular weight
- 164.1
Names & synonyms
2,2,2-Trifluoroethanesulfonic acid1827-97-0Ethanesulfonic acid, 2,2,2-trifluoro-DTXSID00171320RefChem:340179DTXCID80938112,2,2-Trifluoroethanesulphonic acidMFCD285154212,2,2-trifluoroethane-1-sulfonic acidSCHEMBL643341:1 perfluoroethane sulfonateSCHEMBL769917
Show more names
SCHEMBL27273040FT-sulfonic_acid; C2H3F3O3SOMIOLSLLQGJEFE-UHFFFAOYSA-N2,2,2-TrifluoroethanesulphonicacidAKOS030229552perfluoroethane sulfonic acid (-2F +H)
Database identifiers
- CAS
1827-97-0- PubChem CID
- 3014047
- DTXSID
DTXSID00171320- Nikkaji
- J1.405.398K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 50 · 50-52 °C
- Boiling point
- 100 °C · 100 °C(Press: 0.5 Torr)
- Density
- 1.7 · 1.700±0.06 g/cm3(Predicted)
- pka
- -0.08 · -0.08±0.50(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P280
- HS Code
- 2904990090 · 2904990090
Safety & regulation
Safety data
- hs_code
- 2904990090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P260-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
Loading…