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3,5,6-Trimethyl-2-nitrobenzofuran

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Identification
Molecular formula
C11H11NO3
CAS number
13439-05-5
IUPAC name
3,5,6-trimethyl-2-nitro-benzofuran
State
State

At room temperature, this compound is usually found as a crystalline solid.

Melting point (Celsius)
52.00
Melting point (Kelvin)
325.15
Boiling point (Celsius)
376.80
Boiling point (Kelvin)
650.00
General information
Molecular weight
217.21g/mol
Molar mass
217.2400g/mol
Density
1.1778g/cm3
Appearence

The compound typically appears as a yellow crystalline solid.

Comment on solubility

Solubility of 3,5,6-trimethyl-2-nitro-benzofuran

The solubility of 3,5,6-trimethyl-2-nitro-benzofuran can be influenced by various factors, including its molecular structure and the presence of functional groups. This compound, characterized by its unique benzofuran structure, exhibits specific solubility characteristics:

  • Polarity: Due to the presence of both nitro and methyl groups, its polarity may affect how it interacts with solvents.
  • Solvent type: Generally, aromatic compounds like this one tend to have better solubility in organic solvents, such as:
    • Dimethyl sulfoxide (DMSO)
    • Tetrahydrofuran (THF)
    • Acetone
    • Benzene
    • Chloroform
  • Water solubility: Typically, such compounds have limited solubility in water due to their hydrophobic aromatic nature.
  • Temperature effects: Higher temperatures may improve solubility, allowing for better dissolution in organic solvents.

Overall, the solubility of 3,5,6-trimethyl-2-nitro-benzofuran reflects the balance between its polar and non-polar characteristics, making it an interesting compound in terms of chemical behavior.

Interesting facts

Interesting Facts about 3,5,6-trimethyl-2-nitro-benzofuran

3,5,6-trimethyl-2-nitro-benzofuran, a fascinating organic compound, exhibits chemical properties and structural features that make it a subject of interest in the fields of organic chemistry and materials science. Below are some intriguing aspects of this compound:

  • Structure and Functionality: The compound features a benzofuran structure, which is a bicyclic compound consisting of a fused benzene and furan ring. This unique arrangement contributes to its chemical reactivity and potential applications.

  • Nitro Group Influence: The presence of a nitro group (–NO2) significantly enhances the electrophilic character of the compound, leading to interesting chemical transformations and potential uses in synthetic organic chemistry.

  • Methyl Substituents: The three methyl groups present at the 3, 5, and 6 positions provide steric hindrance, influencing its reactivity and stability. This kind of substitution can modify physical properties and reactivity in chemical reactions.

  • Applications: Compounds like 3,5,6-trimethyl-2-nitro-benzofuran are explored for their potential in the development of pharmaceuticals, agrochemicals, and specialty materials due to their diverse chemical properties.

  • Research Significance: Studies involving this compound can contribute to the understanding of structure-activity relationships in drug design, offering insights into how slight modifications can impact biological activity.

In summary, 3,5,6-trimethyl-2-nitro-benzofuran stands as a prime example of how structural modifications in organic compounds can lead to varied functionalities and numerous applications in science and industry. As the saying goes, "The devil is in the details," highlighting the importance of understanding the specific properties of such specialized compounds.

Synonyms
2-Nitro-3,5,6-trimethylbenzofuran
BENZOFURAN, 2-NITRO-3,5,6-TRIMETHYL-
27408-70-4
NSC 170696
BRN 4436998
Nitro-2 trimethyl-3,5,6 benzofuranne [French]
Nitro-2 trimethyl-3,5,6 benzofuranne
DTXSID90181832
RefChem:326435
DTXCID30104323
3,5,6-Trimethyl-2-nitrobenzofuran
2TE9DM7SP5
NSC-170696
NSC170696
UNII-2TE9DM7SP5
Benzofuran, 3,5,6-trimethyl-2-nitro-