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CAS 20600-56-0

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1-Isocyano-3,5-dimethylbenzene

Description:
1-Isocyano-3,5-dimethylbenzene, also known as 3,5-dimethylphenyl isocyanide, is an organic compound characterized by the presence of an isocyanide functional group attached to a dimethyl-substituted benzene ring. Its molecular structure features a benzene ring with two methyl groups located at the 3 and 5 positions, which contributes to its unique chemical properties. The isocyanide group (-N≡C) is known for its reactivity, particularly in nucleophilic addition reactions and coordination with metal centers, making it valuable in organic synthesis and coordination chemistry. This compound is typically a colorless to pale yellow liquid with a distinctive odor. It is important to handle isocyanides with care due to their potential toxicity and reactivity. In terms of solubility, 1-isocyano-3,5-dimethylbenzene is generally soluble in organic solvents, which facilitates its use in various chemical reactions. Its applications may extend to the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals, highlighting its significance in the field of organic chemistry.
Formula:C9H9N
InChI:InChI=1S/C9H9N/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-2H3
InChI key:InChIKey=WUJAMZCCCPVMFT-UHFFFAOYSA-N
SMILES:[N+](#[C-])C1=CC(C)=CC(C)=C1
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