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Flutrimazole

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Identification
Molecular formula
C14H9F3O2S
CAS number
70180-09-7
IUPAC name
2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid
State
State

At room temperature, 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid is typically found in a solid state. It remains stable under normal conditions while providing unique properties due to the trifluoromethyl group, affecting its interactions and solubility.

Melting point (Celsius)
200.50
Melting point (Kelvin)
473.65
Boiling point (Celsius)
356.20
Boiling point (Kelvin)
629.35
General information
Molecular weight
274.29g/mol
Molar mass
274.2590g/mol
Density
1.4780g/cm3
Appearence

2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid appears as a white crystalline solid. It has a distinct structural arrangement due to the presence of the trifluoromethyl group which can influence its behavior and appearance in different conditions.

Comment on solubility

Solubility Characteristics of 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic Acid

The solubility of 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid can provide insightful implications for its use in various applications. Generally, the solubility of organic acids, like this particular compound, can be influenced by several factors:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents such as water.
  • Hydrophobic Interactions: The trifluoromethyl group introduces significant hydrophobic characteristics, potentially affecting solubility.
  • pH Dependence: As a carboxylic acid, solubility in water may increase with higher pH levels due to deprotonation, forming a more soluble anion.
  • Temperature: Increased temperature typically aids solubility for most organic compounds, but this may vary depending on specific structures.

To summarize, the solubility of 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid is likely to be moderate in water, reflecting the balance between its polar carboxylic acid group and the hydrophobicity induced by both the trifluoromethyl and phenyl groups. As such, it is essential to experiment with various solvents and conditions to determine the practical solubility for specific applications. Ultimately, understanding the solubility profile can lead to enhanced performance in areas such as pharmaceuticals, where solubility plays a critical role in bioavailability.

Interesting facts

Interesting Facts about 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid

2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid is a fascinating compound that belongs to the class of carboxylic acids. Here are a few compelling points that highlight its significance in the field of chemistry:

  • Functional Diversity: The presence of both sulfanyl and trifluoromethyl groups in its structure allows this compound to exhibit unique properties, making it a valuable candidate for various applications in organic synthesis and medicinal chemistry.
  • Pharmaceutical Potential: Compounds with trifluoromethyl groups are known for enhancing biological activity. Research has indicated that they can significantly improve the potency and selectivity of potential therapeutic agents.
  • Environment and Agriculture: The compound's unique chemical nature may also enable it to be used in developing agrochemicals, specifically as a herbicide or pesticide, due to its potential bioactivity against various organisms.
  • Synthetic Routes: The synthesis of this compound involves intricate organic reactions, which can serve as an excellent learning platform for students interested in synthetic methodologies. It showcases several reactions, including nucleophilic substitutions and aromatic modifications.
  • Fluorinated Compounds: Fluorine is recognized for its electronegative properties, which can significantly influence the physicochemical characteristics of a molecule, including stability and reactivity.

While 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid may not be the most well-known compound in the chemical landscape, its molecular design and potential applications make it an intriguing subject for further exploration in both academia and industry.

Synonyms
16174-88-2
BRN 2662521
2-((3-(Trifluoromethyl)phenyl)thio)benzoic acid
Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-
Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-(9CI)
o-((alpha,alpha,alpha-Trifluoro-m-tolyl)thio)benzoic acid
DTXSID70167230
BENZOIC ACID, o-((alpha,alpha,alpha-TRIFLUORO-m-TOLYL)THIO)-
DTXCID0089721
2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid
SCHEMBL8533504
CHEMBL3277067
JFNWLZMHYFDRNE-UHFFFAOYSA-N
Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- (9CI)