5(1-Hydroxyethyl)-3(4-trifluoromethylphenyl)-isoxazole
Basic information
- CAS
889938-96-9- Standard SMILES
CC(O)c1cc(-c2ccc(C(F)(F)F)cc2)no1- InChIKey
AQORUKNDPRTBDD-UHFFFAOYSA-N- Molecular formula
- C12H10F3NO2
- Average molar mass
- 257.21 g/mol
- Monoisotopic mass
- 257.06636305
Names & identifiers
- Preferred name
- 5(1-Hydroxyethyl)-3(4-trifluoromethylphenyl)-isoxazole
- IUPAC
- 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanol
- English name
- 5(1-Hydroxyethyl)-3(4-trifluoromethylphenyl)-isoxazole
- Molecular formula
- C12H10F3NO2
- Molecular weight
- 257.21
Names & synonyms
889938-96-95(1-HYDROXYETHYL)-3(4-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE1-(3-(4-(Trifluoromethyl)phenyl)isoxazol-5-yl)ethanol5(1-hydroxyethyl)-3(4-trifluoromethylphenyl)isoxazoleSCHEMBL20507229DTXSID50628556AQORUKNDPRTBDD-UHFFFAOYSA-N1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanolMFCD08443687AKOS0253952621-[3-(4-Trifluoromethyl-phenyl)-isoxaZol-5-yl]-ethanol5-(1-Hydroxyethyl)-3-(4-trifluoromethylphenyl)isoxazole
Show more names
5-Isoxazolemethanol, α-methyl-3-[4-(trifluoromethyl)phenyl]-
1-{3-[4-(Trifluoromethyl)phenyl]-1,2-oxazol-5-yl}ethan-1-ol
Database identifiers
- CAS
889938-96-9- PubChem CID
- 22831990
- DTXSID
DTXSID50628556
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…