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CAS 120511-91-3

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5-(Chloromethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile

Description:
5-(Chloromethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile, with CAS number 120511-91-3, is a chemical compound characterized by its complex structure, which includes a chloromethyl group and multiple methyl substituents on a benzene ring. This compound features two cyano (nitrile) groups, contributing to its reactivity and potential applications in organic synthesis. The presence of the chloromethyl group suggests that it may participate in nucleophilic substitution reactions, making it a useful intermediate in the synthesis of various organic compounds. The tetramethyl substitution indicates a high degree of steric hindrance, which can influence its reactivity and solubility in different solvents. Additionally, the compound's nitrile groups can engage in dipolar interactions, affecting its physical properties such as boiling point and solubility. Overall, this compound's unique structural features make it of interest in fields such as medicinal chemistry and materials science, where it may serve as a precursor for more complex molecules or functional materials.
Formula:C15H17ClN2
InChI:InChI=1S/C15H17ClN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3
InChI key:InChIKey=HSNGPKBBTHINTG-UHFFFAOYSA-N
SMILES:C(C#N)(C)(C)C1=CC(C(C#N)(C)C)=CC(CCl)=C1
Synonyms:
  • 2,2′-(5-(chloromethyl)-1,3-phenylene)bis(2-methylpropanenitrile)
  • 1,3-Benzenediacetonitrile, 5-(chloromethyl)-α1,α1,α3,α3-tetramethyl-
  • 5-(Chloromethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile
  • 1,3-Benzenediacetonitrile, 5-(chloromethyl)-α,α,α′,α′-tetramethyl-
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