CAS 22445-42-7
:3,5-dimethylbenzonitrile
Description:
3,5-Dimethylbenzonitrile, with the CAS number 22445-42-7, is an aromatic nitrile compound characterized by the presence of a benzonitrile structure with two methyl groups attached to the benzene ring at the 3 and 5 positions. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It has a relatively low solubility in water but is soluble in organic solvents such as ethanol and acetone. The presence of the nitrile functional group (-C≡N) contributes to its reactivity, making it useful in various chemical syntheses and applications, including as an intermediate in the production of pharmaceuticals and agrochemicals. The methyl substituents can influence the compound's physical properties, such as boiling point and melting point, as well as its reactivity and interaction with other chemical species. Safety data indicates that it should be handled with care, as it may pose health risks if inhaled or ingested.
Formula:C9H9N
InChI:InChI=1/C9H9N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,1-2H3
InChI key:InChIKey=YFKRLZLGVDDKAL-UHFFFAOYSA-N
SMILES:C(#N)C1=CC(C)=CC(C)=C1
Synonyms:- 1,3-Dimethyl-5-cyanobenzene
- 3,5-Dimethyl benzonitrile
- Benzonitrile, 3,5-dimethyl-
- 3,5-Dimethylbenzonitrile
- 3,5-DIMETHYLBENZONITRILE 98%
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