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2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile

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Identification
Molecular formula
C9H4F3N3
CAS number
481074-18-0
IUPAC name
2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
State
State
At room temperature, 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile is typically in a solid state, exhibiting a crystalline structure.
Melting point (Celsius)
83.00
Melting point (Kelvin)
356.00
Boiling point (Celsius)
210.00
Boiling point (Kelvin)
483.00
General information
Molecular weight
215.14g/mol
Molar mass
215.1750g/mol
Density
1.4700g/cm3
Appearence

2-(Trifluoromethyl)-3H-benzimidazole-5-carbonitrile is generally crystalline with a white to off-white appearance. The crystals can be fine or powdery depending on the specific conditions of synthesis and storage.

Comment on solubility

Solubility of 2-(Trifluoromethyl)-3H-benzimidazole-5-carbonitrile

The solubility of 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile presents certain unique characteristics that are influenced by its chemical structure.

Key Factors Affecting Solubility:

  • Polarity: The presence of the trifluoromethyl group contributes to the overall polarity of the molecule, which can affect interactions with solvents.
  • Hydrogen Bonding: The potential for hydrogen bonding due to the benzimidazole moiety can also influence solubility in polar solvents.
  • Solvent Compatibility: This compound is likely to have better solubility in organic solvents such as dichloromethane or dimethyl sulfoxide (DMSO), while having limited solubility in water.

Typically, compounds like 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile behave as moderately polar substances, leading to varying degrees of solubility based on the solvent's nature. In practice:

  • It may dissolve readily in non-polar or weakly polar organic solvents.
  • Conversely, in aqueous solutions, solubility may be significantly reduced due to hydrophobic interactions.

In summary, while this compound shows a tendency toward solubility in organic solvents due to its structural properties, its solubility in water is likely quite limited. This can pose challenges for applications requiring aqueous environments.

Interesting facts

Interesting Facts about 2-(Trifluoromethyl)-3H-benzimidazole-5-carbonitrile

2-(Trifluoromethyl)-3H-benzimidazole-5-carbonitrile is a fascinating compound that showcases the versatility of organic chemistry. Here are some intriguing aspects of this compound:

  • Unique Chemical Structure: The compound features a trifluoromethyl group, which significantly influences its reactivity and stability. Fluorine atoms are known for their electronegativity, which can enhance the compound's lipophilicity and metabolic stability.
  • Biological Significance: Compounds containing a benzimidazole core are often studied for their biological activities. They have been reported to possess various pharmacological properties, including anticancer and antimicrobial effects. This particular structure may therefore open avenues for further biomedical research.
  • Application in Material Science: The incorporation of fluorine into organic materials can lead to unique properties. Research demonstrates that fluorinated compounds can improve thermal stability and change the electronic properties of materials, making them suitable for advanced applications in electronics and materials science.
  • Potential in Drug Development: The specific arrangement of the functional groups in 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile allows for potential interactions with biological targets, enhancing the development of new therapeutic agents. Compounds with similar structures have been investigated and are frequently adapted in drug design.

In summary, 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile is not just another organic compound; it's a bridge to unexplored pharmacological potentials and innovative material applications. As research progresses, this compound could play a crucial role in both medicine and technology.

Synonyms
3671-61-2
BENZIMIDAZOLE-5-CARBONITRILE, 2-(TRIFLUOROMETHYL)-
2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
2-(Trifluoromethyl)-1H-benzo[d]imidazole-5-carbonitrile
1H-Benzimidazole-5-carbonitrile, 2-(trifluoromethyl)-
BRN 0884894
5-cyano-2-trifluoromethylbenzimidazole
2-(Trifluoromethyl)benzimidazole-5-carbonitrile
SCHEMBL7655142
DTXSID40190171
AKOS017519144
AT15948
2-(trifluoromethyl)-1H-benzimidazole-5-carbonitrile
5-Benzimidazole carbonitrile, 2-(trifluoromethyl)-