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CAS 1032350-07-4

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3-Pyridinecarboxaldehyde, 4-amino-2-chloro-, 2,2,2-trifluoroacetate (1:1)

Description:
3-Pyridinecarboxaldehyde, 4-amino-2-chloro-, 2,2,2-trifluoroacetate (1:1) is a chemical compound characterized by its complex structure, which includes a pyridine ring, an aldehyde functional group, an amino group, and a chloro substituent, along with a trifluoroacetate moiety. This compound is likely to exhibit polar characteristics due to the presence of the aldehyde and amino groups, which can participate in hydrogen bonding. The trifluoroacetate group contributes to its overall stability and may influence its reactivity and solubility in various solvents. The presence of chlorine and fluorine atoms suggests potential applications in medicinal chemistry or agrochemicals, as halogenated compounds often exhibit unique biological activities. Additionally, the compound's structure may allow for various synthetic modifications, making it a versatile intermediate in organic synthesis. Safety and handling precautions should be observed due to the potential toxicity associated with halogenated compounds and the reactive aldehyde functional group.
Formula:C6H5ClN2O·C2HF3O2
InChI:InChI=1S/C6H5ClN2O.C2HF3O2/c7-6-4(3-10)5(8)1-2-9-6;3-2(4,5)1(6)7/h1-3H,(H2,8,9);(H,6,7)
InChI key:InChIKey=ILEULPZLIIFHRM-UHFFFAOYSA-N
SMILES:C(=O)C=1C(N)=CC=NC1Cl.C(C(O)=O)(F)(F)F
Synonyms:
  • 3-Pyridinecarboxaldehyde, 4-amino-2-chloro-, 2,2,2-trifluoroacetate (1:1)
  • 4-Amino-2-chloronicotinaldehyde 2,2,2-trifluoroacetic acid
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