Basic information
- CAS
1060812-68-1- Standard SMILES
CC(=O)c1cnc(C(F)(F)F)cn1- InChIKey
MDYAQPCSNDPWSV-UHFFFAOYSA-N- Molecular formula
- C7H5F3N2O
- Average molar mass
- 190.12 g/mol
- Monoisotopic mass
- 190.03539727
Names & identifiers
- Preferred name
- 1-[5-(Trifluoromethyl)pyrazin-2-yl]ethanone
- IUPAC
- 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone
- English name
- 1-(5-(trifluoromethyl)pyrazin-2-yl)ethan-1-one
- Molecular formula
- C7H5F3N2O
- Molecular weight
- 190.12
Names & synonyms
1060812-68-11-[5-(trifluoromethyl)pyrazin-2-yl]ethanone1-(5-(TRIFLUOROMETHYL)PYRAZIN-2-YL)ETHANONEMFCD131894701-(5-(Trifluoromethyl)pyrazin-2-yl)ethan-1-oneEthanone, 1-[5-(trifluoromethyl)-2-pyrazinyl]-SCHEMBL247238401-[5-(Trifluoromethyl)-2-pyrazinyl]ethanoneDTXSID2012637441-[5-(TRIFLUOROMETHYL)PYRAZIN-2-YL]ETHAN-1-ONEAB68473PS-18810
Show more names
1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone - [T81240]
E77433SY310790F847990
Database identifiers
- CAS
1060812-68-1- PubChem CID
- 72212349
- DTXSID
DTXSID201263744
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 225.7 · 225.7±40.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- -3.92 · -3.92±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
Chemistry & industry
Suppliers8 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京后秀医药科技有限公司15252458249 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
南京鼎石生物技术有限公司13501719342 13501719342 · [email protected]
誉通医药科技（苏州）有限公司0512-15851462628 15851462628 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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