2-Methoxy-6-(trifluoromethyl)phenylacetonitrile
Basic information
- CAS
1017779-07-5- Standard SMILES
COc1cccc(C(F)(F)F)c1CC#N- InChIKey
IPXXNDJVHVVBJH-UHFFFAOYSA-N- Molecular formula
- C10H8F3NO
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.05579836
Names & identifiers
- Preferred name
- 2-Methoxy-6-(trifluoromethyl)phenylacetonitrile
- IUPAC
- 2-[2-methoxy-6-(trifluoromethyl)phenyl]acetonitrile
- English name
- 2-Methoxy-6-(trifluoromethyl)phenylacetonitrile
- Molecular formula
- C10H8F3NO
- Molecular weight
- 215.17
Names & synonyms
2-METHOXY-6-(TRIFLUOROMETHYL)PHENYLACETONITRILE1017779-07-52-[2-methoxy-6-(trifluoromethyl)phenyl]acetonitrileMFCD098323272-(2-Methoxy-6-(trifluoromethyl)phenyl)acetonitrileDTXSID801238713SBB095075AKOS015956529JS-4678CS-04398462-Methoxy-6-(trifluoromethyl)benzeneacetonitrile[2-Methoxy-6-(trifluoromethyl)phenyl]acetonitrile
Show more names
Benzeneacetonitrile, 2-methoxy-6-(trifluoromethyl)-
2-[6-methoxy-2-(trifluoromethyl)phenyl]ethanenitrile
Database identifiers
- CAS
1017779-07-5- PubChem CID
- 46737597
- DTXSID
DTXSID801238713
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 249.1 · 249.1±40.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H332-H335-H301+H311
- Precautionary statements
- 280 · P280-P301+P310-P302+P352
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H319-H332-H335-H301+H311
- Precautionary statements
- P280-P301+P310-P302+P352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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