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Clononitrile

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Identification
Molecular formula
C10H8ClNO
CAS number
14471-60-8
IUPAC name
2-(4-chlorophenyl)-3-oxo-butanenitrile
State
State

The compound is a solid at room temperature. It maintains a crystalline structure under normal conditions and is used in various syntheses.

Melting point (Celsius)
63.00
Melting point (Kelvin)
336.15
Boiling point (Celsius)
329.20
Boiling point (Kelvin)
602.35
General information
Molecular weight
181.63g/mol
Molar mass
181.6090g/mol
Density
1.2470g/cm3
Appearence

2-(4-chlorophenyl)-3-oxo-butanenitrile typically appears as a pale yellow to off-white crystalline solid. Its solid form is fairly stable under standard conditions.

Comment on solubility

Solubility of 2-(4-chlorophenyl)-3-oxo-butanenitrile

The solubility of 2-(4-chlorophenyl)-3-oxo-butanenitrile can be influenced by various factors including temperature, pH, and the presence of other solvents. Generally, the solubility characteristics can be summarized as follows:

  • Polar solvents: This compound tends to exhibit moderate solubility in polar solvents like water, due to the presence of the nitrile group which can engage in hydrogen bonding.
  • Non-polar solvents: In contrast, 2-(4-chlorophenyl)-3-oxo-butanenitrile is likely to be more soluble in non-polar organic solvents such as hexane or chloroform, aligning with the hydrophobic nature of its aromatic component.
  • Temperature effect: Increasing temperature may enhance the solubility in both types of solvents, a common behavior observed with many organic compounds.

As a solid, 2-(4-chlorophenyl)-3-oxo-butanenitrile’s solubility should be assessed through empirical testing to determine precise values under varying conditions. It is important to note that the exact solubility could also be affected by intermolecular interactions, as well as the concentration of other solutes in the solution.

In summary, the solubility of 2-(4-chlorophenyl)-3-oxo-butanenitrile showcases interesting dependencies, where:

  • Water solubility: Moderate
  • Organic solvent solubility: Higher in non-polar

This compound exemplifies typical behavior seen in organic nitriles and their solubility profiles.

Interesting facts

Interesting Facts About 2-(4-Chlorophenyl)-3-Oxo-Butanenitrile

2-(4-Chlorophenyl)-3-oxo-butanenitrile, a compound in the realm of organic chemistry, presents a fascinating study for both chemists and students alike. Here are some captivating insights:

  • Structural Diversity: This compound features a unique structure that includes a cyano group (–C≡N) and a ketone functional group (–C=O) along with a chlorinated phenyl group. Such structural diversity often leads to interesting chemical reactivity and potential applications.
  • Pharmaceutical Potential: Compounds like this one are often explored for their potential as pharmaceuticals. The presence of the chlorophenyl moiety suggests that it could have various biological activities, making it intriguing for drug discovery.
  • Synthetic Pathways: The synthesis of 2-(4-chlorophenyl)-3-oxo-butanenitrile often involves multi-step reactions, which is a great practical application in organic synthesis courses. Understanding the mechanisms behind the formation of this compound can be an exciting learning experience.
  • Research Applications: Due to its chemical properties, this compound may be subjected to research focusing on organic reactions, material science, and possibly even agrochemicals, showcasing its versatility beyond just one field.
  • Intermolecular Interactions: The presence of halogens in the compound can lead to interesting intermolecular interactions. This aspect can be explored in studies related to molecular recognition and supramolecular chemistry.

In summary, 2-(4-chlorophenyl)-3-oxo-butanenitrile stands as a remarkable example of how complex structures can lead to exciting opportunities in scientific research. Chemists are continually discovering new avenues for exploration within such compounds, contributing to advancements in multiple disciplines.

Synonyms
5219-07-8
2-(4-Chloro-phenyl)-3-oxo-butyronitrile
USAF EL-43
2-(4-Chlorophenyl)-3-oxobutyronitrile
BRN 0744679
Benzeneacetonitrile, alpha-acetyl-4-chloro-
H823RV67E7
ACETOACETONITRILE, 2-(p-CHLOROPHENYL)-
EINECS 226-012-8
alpha-(p-Chlorophenyl)acetoacetonitrile
alpha-Acetyl-4-chlorobenzeneacetonitrile
p-Chlorophenylacetoacetonitrile
Benzeneacetonitrile, .alpha.-acetyl-4-chloro-
DTXSID90884139
4-10-00-02777 (Beilstein Handbook Reference)
DTXCID101023606
I+--Acetyl-4-chlorobenzeneacetonitrile
Benzeneacetonitrile, I+--acetyl-4-chloro-
226-012-8
2-(4-chlorophenyl)-3-oxobutanenitrile
MFCD01672899
Benzeneacetonitrile, a-acetyl-4-chloro-
UNII-H823RV67E7
SCHEMBL7740756
a-Acetyl-4-chlorobenzeneacetonitrile
STK244807
AKOS001061128
AKOS016041836
BS-32514
SY132992
CS-0213148
EU-0062750
NS00044102
EN300-09759
Z56985774