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2-Acetoxy-4-(trifluoromethyl)benzoic acid

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Identification
Molecular formula
C10H7F3O4
CAS number
329-60-6
IUPAC name
2-acetoxy-4-(trifluoromethyl)benzoic acid
State
State

The compound is typically in a solid state at room temperature. Its crystalline form suggests that it retains a stable structure under usual environmental conditions, which contributes to its applications in various chemical synthesis processes.

Melting point (Celsius)
114.00
Melting point (Kelvin)
387.15
Boiling point (Celsius)
250.50
Boiling point (Kelvin)
523.65
General information
Molecular weight
246.17g/mol
Molar mass
246.1690g/mol
Density
1.4182g/cm3
Appearence

2-Acetoxy-4-(trifluoromethyl)benzoic acid appears as a crystalline solid. It is often colorless or white, indicating its purity and stability under standard conditions. Its crystalline nature reflects its well-defined molecular structure and purity.

Comment on solubility

Solubility of 2-acetoxy-4-(trifluoromethyl)benzoic acid

2-acetoxy-4-(trifluoromethyl)benzoic acid, often referred to in the context of its unique chemical structure, presents intriguing characteristics regarding its solubility. This compound is moderately soluble in organic solvents such as:

  • Acetone
  • Ethyl acetate
  • Dichloromethane

However, it shows limited solubility in water due to its hydrophobic trifluoromethyl group and the aromatic character of the benzene ring, which tends to aggregate and reduces its interaction with polar solvents. In general, the solubility profile of 2-acetoxy-4-(trifluoromethyl)benzoic acid can be summarized as follows:

  1. Polar Solvents: Poor solubility
  2. Nonpolar Solvents: Enhanced solubility
  3. Temperature Effect: Increased temperature may improve solubility in some organic solvents

Numerous studies highlight that temperature and solvent polarity play a significant role in enhancing the solubility of this compound. Therefore, in synthetic applications, choosing the right solvent is crucial for maximizing its usability. Overall, understanding the solubility behavior of 2-acetoxy-4-(trifluoromethyl)benzoic acid helps in its effective application in chemical reactions and formulations.

Interesting facts

Interesting Facts about 2-acetoxy-4-(trifluoromethyl)benzoic acid

2-acetoxy-4-(trifluoromethyl)benzoic acid is a fascinating compound that combines both structural complexity and functional versatility. This compound is part of the benzoic acid family, which is known for its aromatic properties and various applications in the field of organic chemistry.

Notable Features:

  • Functional Groups: The presence of both an acetoxy group and a trifluoromethyl group makes this compound unique. The acetoxy moiety can enhance reactivity in various chemical reactions, while the trifluoromethyl group is known for imparting distinct electronic effects.
  • Applications: Compounds like 2-acetoxy-4-(trifluoromethyl)benzoic acid are often explored in medicinal chemistry and agricultural chemistry, particularly for their potential use as bioactive agents.
  • Derivative Synthesis: This compound can potentially serve as a precursor in the synthesis of more complex molecules, making it a valuable building block in organic synthesis.

Scientific Importance:

This compound illustrates the concept of structure-activity relationships in pharmacology. Researchers study how different functional groups influence the biological activity of compounds, making it essential for drug design. As Dr. Lin, a notable chemist, said, “Understanding the subtleties of chemical structure can unlock the door to new therapies.”

Challenge & Innovation:

Working with compounds like 2-acetoxy-4-(trifluoromethyl)benzoic acid presents various challenges due to their reactivity and stability. Chemists are constantly innovating methodologies to handle these compounds safely and effectively, showcasing the dynamic nature of chemical research.

In summary, 2-acetoxy-4-(trifluoromethyl)benzoic acid not only enriches our understanding of organic chemistry but also holds the potential for real-world applications. Its unique structure and associated properties continue to intrigue researchers and students alike.

Synonyms
Triflusal
322-79-2
2-Acetoxy-4-trifluoromethylbenzoic acid
Disgren
2-Acetoxy-4-(trifluoromethyl)benzoic Acid
2-acetyloxy-4-(trifluoromethyl)benzoic acid
Triflusal [INN]
2-(Acetyloxy)-4-(trifluoromethyl)benzoic acid
Triflusalum
Grendis
Aflen
Triflusalum [INN-Latin]
Triflusal [INN:BAN]
UR 1501
Benzoic acid, 2-(acetyloxy)-4-(trifluoromethyl)-
UNII-1Z0YFI05OO
EINECS 206-297-5
1Z0YFI05OO
Triflusal (INN)
4-Trifluoromethylsalicylic acid acetate
BRN 2945374
DRISGEN
DTXSID8045305
TRIFLUSAL [MI]
TRIFLUSAL [MART.]
TRIFLUSAL [WHO-DD]
alpha,alpha,alpha-Trifluoro-2,4-creosotic acid acetate
alpha,alpha,alpha-Trifluoro-2,4-cresotic acid acetate
DTXCID6025305
TRIFLUSAL [EP MONOGRAPH]
4-10-00-00619 (Beilstein Handbook Reference)
NCGC00016431-01
CAS-322-79-2
2,4-CRESOTIC ACID, alpha,alpha,alpha-TRIFLUORO-, ACETATE
Triflusalum (INN-Latin)
TRIFLUSAL (MART.)
TRIFLUSAL (EP MONOGRAPH)
C10H7F3O4
Triflusal; 2-(Acetyloxy)-4-(trifluoromethyl)benzoic acid
Tecnosal
Triflux
Prestwick_851
MFCD00866793
Triflusal (Standard)
Prestwick0_000528
Prestwick1_000528
Prestwick2_000528
Prestwick3_000528
BSPBio_000515
SCHEMBL136423
3-Acetoxy-alpha,alpha,alpha-trifluoro-p-toluic acid
SPBio_002436
BPBio1_000567
CHEMBL1332032
CHEBI:94721
HY-B0531R
B01AC18
HMS1569J17
HMS2096J17
HMS3652M11
HMS3713J17
HMS3885I13
BBC35535
BCP10024
HY-B0531
Tox21_110436
s3200
AKOS015890393
AC-1829
CCG-220528
CCG-222319
DB08814
FT28493
MB01536
UR-1501
2-Acetoxy-4-trifluoromethyl-benzoic acid
Acetyl-4-(trifluoromethyl)salicylic Acid
NCGC00016431-02
NCGC00016431-04
NCGC00016431-11
AS-63983
ACETYL-4-TRIFLUOROMETHYLSALICYLIC ACID
SW196982-3
T3601
D07142
T72290
EN300-18567716
SR-01000872666
Q1758668
SR-01000872666-1
BRD-K71696703-001-01-2
BRD-K71696703-001-06-1
BRD-K71696703-001-07-9
BRD-K71696703-001-08-7
BRD-K71696703-001-09-5
Benzoic acid, 2-(acetyloxy)-4-(trifluoromethyl)-(9CI)
206-297-5