2-Hydroxytetrafluoroethanesulfonic acid β-sultone
Properties
- Molecular formula
- C2F4O3S
- Molar mass
- 180.07 g/mol
- Exact mass
- 179.9504 Da
- Density
- 1.6219 g/mL (at 20 °C)
- Melting point
- −35 °C
- Boiling point
- 42 °C
- logP
- 0.53Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed25% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
- H302 Harmful if swallowed25% of notifiers
- H311 Toxic in contact with skin25% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H314 Causes severe skin burns and eye damage75% of notifiers
- H330 Fatal if inhaled25% of notifiers
- H332 Harmful if inhaled25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
697-18-7SMILES
O=S1(=O)OC(F)(F)C1(F)FInChIKey
ZMSRCMWBEGLBAI-UHFFFAOYSA-NInChI
InChI=1S/C2F4O3S/c3-1(4)2(5,6)10(7,8)9-1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1,2-Oxathietane, 3,3,4,4-tetrafluoro-, 2,2-dioxide
- Ethanesulfonic acid, 1,1,2,2-tetrafluoro-2-hydroxy-, β-sultone
- Tetrafluoroethane-β-sultone
- Tetrafluoroethanesultone
- 3,3,4,4-Tetrafluoro-1,2-oxathietane-2,2-dioxide
- 2-Hydroxytetrafluoroethanesulfonic acid beta-sultone
Work with 2-Hydroxytetrafluoroethanesulfonic acid β-sultone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-(Trifluoromethyl)-3,4,4-trifluoro-1-oxa-2-thiacyclobutane 2,2-dioxide773-15-950 % similar
Trifluoromethanesulfonic acid trifluoromethyl ester3582-05-638 % similar
Nonafluorobutanesulfonic acid anhydride36913-91-438 % similar
Trifluoromethanesulfonic anhydride358-23-638 % similar
Perfluoro(2-ethoxyethane)sulfonic acid113507-82-734 % similar
Methyl trifluoromethanesulfonate333-27-733 % similar
1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulphonyl fluoride66137-74-433 % similar
2,2,2-Trifluoroethyl perfluorobutylsulfonate79963-95-431 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.