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CAS 13730-09-1

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2,5-Dimethylbenzonitrile

Description:
2,5-Dimethylbenzonitrile, with the CAS number 13730-09-1, is an aromatic nitrile compound characterized by a benzene ring substituted with two methyl groups at the 2 and 5 positions and a cyano group (-C≡N) at the 1-position. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its moderate polarity due to the presence of the cyano group, which can engage in hydrogen bonding and dipole interactions. 2,5-Dimethylbenzonitrile is relatively stable under standard conditions but may undergo reactions typical of nitriles, such as hydrolysis to form corresponding carboxylic acids. It is used in organic synthesis and as an intermediate in the production of various chemicals, including pharmaceuticals and agrochemicals. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure, necessitating appropriate safety measures during handling and use.
Formula:C9H9N
InChI:InChI=1/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H3
InChI key:InChIKey=OZOQTENKIVKILK-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C)C=CC(C)=C1
Synonyms:
  • 2,5-Dimethylbenzonitril
  • 2,5-Dimethylbenzonitril [German]
  • Benzonitrile, 2,5-dimethyl-
  • 2,5-Dimethylbenzonitrile
  • 2,5-dimethyl-benzonitril
  • 2,5-Dimethylbenzonitrile ,98%
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