Basic information
- CAS
5187-61-1- Standard SMILES
OCCSCC(F)(F)F- InChIKey
YIUJIEYRSACWDN-UHFFFAOYSA-N- Molecular formula
- C4H7F3OS
- Average molar mass
- 160.16 g/mol
- Monoisotopic mass
- 160.0169705
Names & identifiers
- Preferred name
- 2-[(2,2,2-Trifluoroethyl)sulfanyl]ethan-1-ol
- IUPAC
- 2-(2,2,2-trifluoroethylsulfanyl)ethanol
Names & synonyms
5187-61-12-[(2,2,2-trifluoroethyl)sulfanyl]ethan-1-ol2-((2,2,2-trifluoroethyl)sulfanyl)ethan-1-olRefChem:447494827-709-52-((2,2,2-trifluoroethyl)thio)ethanol2-(2,2,2-trifluoroethylsulfanyl)ethanol2-((2,2,2-Trifluoroethyl)thio)ethan-1-ol2-[(2,2,2-Trifluoroethyl)thio]ethanolSCHEMBL7049580SCHEMBL7049585YIUJIEYRSACWDN-UHFFFAOYSA-N
Show more names
MFCD12185688AT25499CS-0239657EN300-2169383F656623Z425753086
Database identifiers
- CAS
5187-61-1- PubChem CID
- 19828056
- EC Number
- 827-709-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.7
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 Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…