2-(Trifluoromethylsulfanyl)ethanol
Basic information
- CAS
307337-29-7- Standard SMILES
OCCSC(F)(F)F- InChIKey
KRRYVMQCWOCSCG-UHFFFAOYSA-N- Molecular formula
- C3H5F3OS
- Average molar mass
- 146.13 g/mol
- Monoisotopic mass
- 146.00132044
Names & identifiers
- Preferred name
- 2-(Trifluoromethylsulfanyl)ethanol
- IUPAC
- 2-(trifluoromethylsulfanyl)ethanol
- English name
- 2-(Trifluoromethylsulfanyl)ethanol
- Molecular formula
- C3H5F3OS
- Molecular weight
- 146.13
Names & synonyms
307337-29-72-(trifluoromethylsulfanyl)ethanolRefChem:462618810-459-62-[(trifluoromethyl)sulfanyl]ethan-1-olMFCD026957022-[(Trifluoromethyl)sulphanyl]ethan-1-ol2-trifluormethylthioethanolSCHEMBL3032234SCHEMBL70507182-(trifluoromethylthio)-ethanol2-[(Trifluoromethyl)thio]ethanol
Show more names
Ethanol, 2-[(trifluoromethyl)thio]-
HMA33729AKOS017345009AT41009MS-20729SY155577EN300-140733Z56770481
Database identifiers
- CAS
307337-29-7- PubChem CID
- 4089698
- EC Number
- 810-459-6
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62
Physicochemical properties
- Boiling point
- 124 · 124-126 °C
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 14.3 · 14.30±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H226-H335-H302+H312+H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2905599890 · 2905599890
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
Danger
H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)
Safety data
- hs_code
- 2905599890
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H319-H315-H226-H335-H302+H312+H332
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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