2,2,2-Trifluoro-1-(3-methylpyridin-2-yl)ethan-1-one
Basic information
- CAS
1060801-54-8- Standard SMILES
Cc1cccnc1C(=O)C(F)(F)F- InChIKey
OQTMCINJTQPHJT-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO
- Average molar mass
- 189.13 g/mol
- Monoisotopic mass
- 189.0401483
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-(3-methylpyridin-2-yl)ethan-1-one
- IUPAC
- 2,2,2-trifluoro-1-(3-methyl-2-pyridinyl)ethanone
- English name
- 2,2,2-trifluoro-1-(3-Methylpyridin-2-yl)ethanone
- Molecular formula
- C8H6F3NO
- Molecular weight
- 189.13
Names & synonyms
1060801-54-82,2,2-TRIFLUORO-1-(3-METHYLPYRIDIN-2-YL)ETHAN-1-ONEDTXSID40734832RefChem:1058947DTXCID806855762,2,2-trifluoro-1-(3-methylpyridin-2-yl)ethanoneOQTMCINJTQPHJT-UHFFFAOYSA-NAB67509DB-292062EN300-1932465Ethanone, 2,2,2-trifluoro-1-(3-methyl-2-pyridinyl)-
Database identifiers
- CAS
1060801-54-8- PubChem CID
- 64985155
- DTXSID
DTXSID40734832
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 199 · 199.0±35.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.45 · 1.45±0.10(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.
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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