CAS 20651-73-4
:4-Butylbenzonitrile
Description:
4-Butylbenzonitrile, with the CAS number 20651-73-4, is an organic compound characterized by a benzene ring substituted with a butyl group and a nitrile group (–C≡N) at the para 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 aromatic properties, which contribute to its stability and relatively low reactivity under standard conditions. The presence of the nitrile functional group imparts polar characteristics, making it soluble in polar solvents while being less soluble in non-polar solvents. 4-Butylbenzonitrile is often used in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. Its physical properties, such as boiling point and melting point, can vary based on the specific isomer and purity. Safety data indicates that, like many nitriles, it should be handled with care due to potential toxicity and irritant effects. Proper safety measures, including the use of personal protective equipment, are recommended when working with this compound.
Formula:C11H13N
InChI:InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
InChI key:InChIKey=KGZNJCXNPLUEQS-UHFFFAOYSA-N
SMILES:C(CCC)C1=CC=C(C#N)C=C1
Synonyms:- 4-Butylbenzonitrile
- Benzonitrile, 4-butyl-
- Benzonitrile, p-butyl-
- p-Butylbenzonitrile
- p-Cyanobutylbenzene
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