Basic information
- CAS
1256786-08-9- Standard SMILES
COc1cc(C(F)(F)F)cnc1C(C)=O- InChIKey
FVKGEHCMWPJXJZ-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO2
- Average molar mass
- 219.16 g/mol
- Monoisotopic mass
- 219.05071298
Names & identifiers
- Preferred name
- 1-(3-Methoxy-5-(trifluoromethyl)pyridin-2-yl)ethanone
- IUPAC
- 1-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]ethanone
- English name
- Ethanone, 1-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-
- Molecular formula
- C9H8F3NO2
- Molecular weight
- 219.16
Names & synonyms
1-(3-Methoxy-5-(trifluoromethyl)pyridin-2-yl)ethanone1256786-08-9MFCD182559341-[3-methoxy-5-(trifluoromethyl)pyridin-2-yl]ethanoneEthanone, 1-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1-(3-methoxy-5-(trifluoromethyl)pyridin-2-yl)ethan-1-one1-[3-methoxy-5-(trifluoromethyl)pyridin-2-yl]ethan-1-oneBS-44846CS-0186241E74327F6263661-[3-methoxy-5-(trifluoromethyl)-2-pyridyl]ethanone
Show more names
1-(3-Methoxy-5-(trifluoromethyl)pyridin-2-yl)ethanone - [M93077]
Database identifiers
- CAS
1256786-08-9- PubChem CID
- 129957988
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 264.2 · 264.2±40.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 0.04 · 0.04±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers12 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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