3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile
Properties
- Molecular formula
- C10H6F3NO2
- Molar mass
- 229.16 g/mol
- Exact mass
- 229.0351 Da
- logP
- 2.68Crippen estimate
- Polar surface area
- 50.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H331 Toxic if inhaled100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501
Identifiers
CAS number
122454-46-0SMILES
C1=CC(=CC=C1C(=O)CC#N)OC(F)(F)FInChIKey
IYZQGBBCANKWMX-UHFFFAOYSA-NInChI
InChI=1S/C10H6F3NO2/c11-10(12,13)16-8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-(Trifluoromethoxy)benzoyl acetonitrile
Work with 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile
Similar compounds
4-(Trifluoromethoxy)phenacyl bromide103962-10-362 % similar
4-Methoxybenzoylacetonitrile3672-47-762 % similar
4-Fluoro-β-oxobenzenepropanenitrile4640-67-958 % similar
Benzoylacetonitrile614-16-456 % similar
4-Bromobenzoylacetonitrile4592-94-354 % similar
4-Chlorobenzoylacetonitrile4640-66-854 % similar
4-(Trifluoromethoxy)phenylacetonitrile49561-96-854 % similar
3-(4-Methylphenyl)-3-oxopropanenitrile7391-28-854 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.