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CAS 745783-91-9

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Benzeneacetaldehyde, α-oxo-2-(trifluoromethyl)-, hydrate (1:1)

Description:
Benzeneacetaldehyde, α-oxo-2-(trifluoromethyl)-, hydrate (1:1), with the CAS number 745783-91-9, is an organic compound characterized by the presence of a benzene ring, an aldehyde functional group, and a trifluoromethyl group. This compound typically exhibits a colorless to pale yellow appearance and is soluble in organic solvents. The trifluoromethyl group contributes to its unique chemical properties, including increased lipophilicity and potential reactivity in various chemical reactions. The hydrate form indicates that it can associate with water molecules, which may influence its solubility and stability. In terms of reactivity, the aldehyde group can participate in nucleophilic addition reactions, while the presence of the trifluoromethyl group may enhance electrophilic character. This compound may find applications in organic synthesis, pharmaceuticals, and agrochemicals, owing to its structural features that can be leveraged in various chemical transformations. Safety data should be consulted for handling and storage, as compounds with trifluoromethyl groups can exhibit specific toxicological profiles.
Formula:C9H5F3O2·H2O
InChI:InChI=1S/C9H5F3O2.H2O/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13;/h1-5H;1H2
InChI key:InChIKey=HBDWKZYNXMESGA-UHFFFAOYSA-N
SMILES:C(C=O)(=O)C1=C(C(F)(F)F)C=CC=C1.O
Synonyms:
  • 2-(Trifluoromethyl)phenylglyoxal hydrate
  • Benzeneacetaldehyde, α-oxo-2-(trifluoromethyl)-, monohydrate
  • Benzeneacetaldehyde, α-oxo-2-(trifluoromethyl)-, hydrate (1:1)
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