3-(2,4-Difluorophenyl)piperazin-2-one
Basic information
- CAS
1246550-88-8- Standard SMILES
O=C1NCCNC1c1ccc(F)cc1F- InChIKey
KLPOQBVNJFGBHO-UHFFFAOYSA-N- Molecular formula
- C10H10F2N2O
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07611927
Names & identifiers
- Preferred name
- 3-(2,4-Difluorophenyl)piperazin-2-one
- IUPAC
- 3-(2,4-difluorophenyl)piperazin-2-one
- English name
- 2-Piperazinone, 3-(2,4-difluorophenyl)-
- Molecular formula
- C10H10F2N2O
- Molecular weight
- 212.2
Names & synonyms
3-(2,4-difluorophenyl)piperazin-2-one1246550-88-8SCHEMBL4538638WZB55088AKOS011635832AB37586AB37590AB37594CS-0257614EN300-67440913-(2,4-DIFLUORO-PHENYL)-PIPERAZIN-2-ONE(R)-3-(2,4-DIFLUORO-PHENYL)-PIPERAZIN-2-ONE
Show more names
2-Piperazinone, 3-(2,4-difluorophenyl)-
(S)-3-(2,4-DIFLUORO-PHENYL)-PIPERAZIN-2-ONE
Database identifiers
- CAS
1246550-88-8- PubChem CID
- 62350696
- EC Number
- 157-195-1
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 360.8 · 360.8±42.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 14.76 · 14.76±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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