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3-bromo-5-tert-butyl-4-hydroxy-benzonitrile

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Identification
Molecular formula
C11H12BrNO
CAS number
134101-51-2
IUPAC name
3-bromo-5-tert-butyl-4-hydroxy-benzonitrile
State
State

At room temperature, 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile is a solid. It is typically handled as a crystalline powder or solid blocks.

Melting point (Celsius)
95.00
Melting point (Kelvin)
368.15
Boiling point (Celsius)
252.80
Boiling point (Kelvin)
525.95
General information
Molecular weight
280.12g/mol
Molar mass
280.1280g/mol
Density
1.3670g/cm3
Appearence

3-Bromo-5-tert-butyl-4-hydroxy-benzonitrile is typically a crystalline solid. It appears as fine, colorless to light brown crystals, depending on its purity and form.

Comment on solubility

Solubility of 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile

The solubility of 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile is influenced by several key factors, which make this compound particularly interesting in the study of organic interactions.

Factors Impacting Solubility:

  • Polarity: The presence of the hydroxyl group (-OH) increases the polarity of the compound, which can enhance its solubility in polar solvents.
  • Alkyl Group: The bulky tert-butyl group introduces hydrophobic characteristics, which may reduce solubility in polar environments while enhancing it in non-polar solvents.
  • Functional Groups: The combination of hydroxy and nitrile groups can create unique interactions, allowing for solubility in aqueous environments under specific conditions.

In general, one can expect that:

  • 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile is likely soluble in polar organic solvents such as ethanol and methanol.
  • It may exhibit limited solubility in water due to its bulky hydrophobic tail, but the hydroxy group contributes to some degree of miscibility.

As outlined, solubility is a complex trait influenced by the interplay of molecular structure and environmental conditions. The balance of hydrophobic and hydrophilic characteristics in 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile makes it a compound of interest for various chemical studies.

Interesting facts

Interesting Facts about 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile

3-bromo-5-tert-butyl-4-hydroxy-benzonitrile is an intriguing compound that showcases the versatility of organic chemistry. Here are some captivating details:

  • Structural Diversity: The compound is a member of the benzonitrile family, characterized by the presence of a cyano group (–C≡N) attached to a benzene ring. This structural diversity can lead to a variety of chemical behaviors and applications.
  • Functional Groups: The presence of a hydroxy group (–OH) and a bromo substituent (–Br) makes this compound especially interesting. These functional groups can greatly influence reactivity and solubility, making it a valuable candidate for further chemical modifications.
  • Applications: Compounds like 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile have potential applications in pharmaceuticals and agrochemicals. They can serve as intermediates in the synthesis of various biologically active molecules.
  • Research Importance: This compound can be studied for its properties as an antioxidant and its role as a precursor in organic synthesis, highlighting its significance in both research and industrial applications.
  • Stability Characteristics: The tert-butyl group contributes to the compound's stability and steric hindrance, which can affect how this molecule reacts with other reagents, making it a topic of interest in mechanistic studies.

As noted in research discussions, "the unique interplay of substituents on the aromatic ring can lead to profound implications for chemical reactivity." This statement encapsulates the essence of studying compounds like 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile, as the relationships between structure and function continue to fuel scientific discovery.

Synonyms
3-Bromo-5-tert-butyl-4-hydroxybenzonitrile
4910-06-9
BENZONITRILE, 3-BROMO-5-tert-BUTYL-4-HYDROXY-
K2TH8D4DRP
NSC-203309
3-Bromo-4-hydroxy-5-tert-butyl-benzonitrile
NSC203309
NSC 203309
BRN 3090988
UNII-K2TH8D4DRP
SCHEMBL10766961
DTXSID10197692
WLN: NCR DQ CE EX1&1&1
4-10-00-00733 (Beilstein Handbook Reference)
3-Bromo-5-(1,1-dimethylethyl)-4-hydroxybenzonitrile
Benzonitrile, 3-bromo-5-(1,1-dimethylethyl)-4-hydroxy-