
CAS 1254177-53-1
:4-Chloro-α-(4-nitrophenyl)benzenepropanenitrile
Description:
4-Chloro-α-(4-nitrophenyl)benzenepropanenitrile, identified by its CAS number 1254177-53-1, is an organic compound characterized by its complex structure, which includes a chloro group, a nitrophenyl moiety, and a nitrile functional group. This compound typically appears as a solid at room temperature and is likely to be insoluble or only slightly soluble in water, while being more soluble in organic solvents such as ethanol or acetone. The presence of the chloro and nitro groups suggests that it may exhibit significant reactivity, particularly in electrophilic substitution reactions. Additionally, the nitrile group contributes to its potential as a polar functional group, influencing its chemical behavior and interactions. This compound may be of interest in various fields, including pharmaceuticals and materials science, due to its potential applications in synthesis and as an intermediate in chemical reactions. Safety data should be consulted for handling, as halogenated compounds and nitro groups can pose health and environmental risks.
Formula:C15H11ClN2O2
InChI:InChI=1S/C15H11ClN2O2/c16-14-5-1-11(2-6-14)9-13(10-17)12-3-7-15(8-4-12)18(19)20/h1-8,13H,9H2
InChI key:InChIKey=MJDDJVOPGKIEDP-UHFFFAOYSA-N
SMILES:C(CC1=CC=C(Cl)C=C1)(C#N)C2=CC=C(N(=O)=O)C=C2
Synonyms:- 4-Chloro-α-(4-nitrophenyl)benzenepropanenitrile
- Benzenepropanenitrile, 4-chloro-α-(4-nitrophenyl)-
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