1-(Trifluoroacetyl)piperidin-4-one
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Basic information
- CAS
65220-86-2- Standard SMILES
O=C1CCN(C(=O)C(F)(F)F)CC1- InChIKey
LUOSNGFOANFUES-UHFFFAOYSA-N- Molecular formula
- C7H8F3NO2
- Average molar mass
- 195.14 g/mol
- Monoisotopic mass
- 195.05071298
Names & identifiers
- Preferred name
- 1-(Trifluoroacetyl)piperidin-4-one
- IUPAC
- 1-(2,2,2-trifluoroacetyl)piperidin-4-one
- English name
- 1-(trifluoroacetyl)piperidin-4-one
- Molecular formula
- C7H8F3NO2
- Molecular weight
- 195.14
Names & synonyms
65220-86-21-(trifluoroacetyl)piperidin-4-oneDTXSID00567926RefChem:227196DTXCID905187001-(2,2,2-Trifluoroacetyl)piperidin-4-one1-(trifluoroacetyl)-4-piperidinoneMFCD09971275SCHEMBL422791N-trifluoroacetyl-4-piperidone1-Trifluoroacetyl-4-piperidone1-(trifluoroacetyl)-4-piperidone
Show more names
Benzoicacid,4,5-dibromo-5-fluoro-4-Piperidinone, 1-(2,2,2-trifluoroacetyl)-1-(trifluoroacetyl)-4-piperidinone(SALTDATA: FREE)
ALBB-003887SBB046480AKOS000321438SB41237AS-30316DB-0925671-(2,2,2-trifluoroacetyl)-piperidin-4-oneCS-0205723
Database identifiers
- CAS
65220-86-2- PubChem CID
- 15080943
- DTXSID
DTXSID00567926- EC Number
- 107-182-1
- Nikkaji
- J709.146J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 234.4 · 234.4±35.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- pka
- -1.95 · -1.95±0.20(Predicted)
- 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
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Safety data
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933399990
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Related reactions
5 records
Compound notes
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