CAS 5144-10-5
:Pentamethylbenzonitrile
Description:
Pentamethylbenzonitrile, with the CAS number 5144-10-5, is an organic compound characterized by a benzene ring substituted with five methyl groups and a nitrile functional group. Its molecular structure features a cyanide group (-C≡N) attached to the aromatic ring, which significantly influences its chemical properties. The presence of multiple methyl groups enhances its hydrophobic character and can affect its solubility in various solvents. Pentamethylbenzonitrile is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. It is known for its relatively low volatility and stability under standard conditions. The compound is used in organic synthesis and may serve as an intermediate in the production of other chemical substances. Additionally, due to the presence of the nitrile group, it can participate in various chemical reactions, including nucleophilic additions and hydrolysis. Safety precautions should be taken when handling this compound, as nitriles can be toxic and may pose health risks if inhaled or ingested.
Formula:C12H15N
InChI:InChI=1S/C12H15N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h1-5H3
InChI key:InChIKey=NCDPYDGGUAKABA-UHFFFAOYSA-N
SMILES:Cc1c(C)c(C)c(C#N)c(C)c1C
Synonyms:- 2,3,4,5,6-Pentamethylbenzonitrile
- 2,3,4,5,6-Pentamethylbenzyl cyanide
- Benzonitrile, 2,3,4,5,6-pentamethyl-
- Benzonitrile, pentamethyl-
- Penthamethylbenzonitrile
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