3-Morpholinone, 6-(trifluoromethyl)-
Basic information
- CAS
1354953-95-9- Standard SMILES
O=C1COC(C(F)(F)F)CN1- InChIKey
BVPPCXSJQGFORO-UHFFFAOYSA-N- Molecular formula
- C5H6F3NO2
- Average molar mass
- 169.1 g/mol
- Monoisotopic mass
- 169.03506292
Names & identifiers
- Preferred name
- 3-Morpholinone, 6-(trifluoromethyl)-
- IUPAC
- 6-(trifluoromethyl)morpholin-3-one
Names & synonyms
6-(trifluoromethyl)morpholin-3-one1354953-95-9DTXSID8012910823-Morpholinone, 6-(trifluoromethyl)-RefChem:504387DTXCID801721685824-041-6SCHEMBL31368534EEC95395AKOS023166166EN300-86496
Database identifiers
- CAS
1354953-95-9- PubChem CID
- 54595321
- DTXSID
DTXSID801291082- EC Number
- 824-041-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…