Cas no 58914-35-5 (2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics))

2-Hydroxy-6-trifluoromethylbenzaldehyde is a fluorinated aromatic aldehyde with a hydroxyl group at the 2-position and a trifluoromethyl group at the 6-position, making it a versatile intermediate in organic synthesis. The presence of the trifluoromethyl group enhances its reactivity and stability, particularly in pharmaceutical and agrochemical applications. The product contains approximately 12% inorganic impurities, which should be accounted for in stoichiometric calculations. Its structural features enable selective functionalization, facilitating the synthesis of complex heterocycles and fine chemicals. Suitable for use in palladium-catalyzed cross-coupling reactions and nucleophilic additions, this compound offers utility in the development of bioactive molecules. Proper handling and storage under inert conditions are recommended to maintain stability.
2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics) structure
58914-35-5 structure
Product Name:2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics)
CAS No:58914-35-5
MF:C8H5F3O2
MW:190.119313001633
MDL:MFCD16999701
CID:340444
PubChem ID:11171483
Update Time:2025-08-05

2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics) Chemical and Physical Properties

Names and Identifiers

    • 2-Hydroxy-6-(trifluoromethyl)benzaldehyde
    • Benzaldehyde, 2-hydroxy-6-(trifluoromethyl)-
    • 2-Formyl-3-hydroxybenzotrifluoride
    • 2-hydroxy-6-trifluoromethylbenzaldehyde
    • 6-(Trifluoromethyl)salicylaldehyde
    • DHBICWJRPNXPHO-UHFFFAOYSA-N
    • 2-Formyl-3-(trifluoromethyl)phenol
    • 8753AB
    • MB25504
    • FCH1141523
    • PC49535
    • SY027214
    • AX8235704
    • BB 0261348
    • Z1255375222
    • 2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics)
    • CS-W023141
    • 2-Formyl-3-(trifluoromethyl)phenol, 2-Formyl-3-hydroxybenzotrifluoride, 6-(Trifluoromethyl)salicylaldehyde
    • DTXSID30457563
    • 58914-35-5
    • MFCD16999701
    • AKOS016006379
    • CS-11642
    • EN300-210754
    • A869325
    • AC1612
    • SCHEMBL677594
    • DTXCID20408382
    • 2-Hydroxy-6-trifluoromethyl-benzaldehyde
    • DB-127788
    • MDL: MFCD16999701
    • Inchi: 1S/C8H5F3O2/c9-8(10,11)6-2-1-3-7(13)5(6)4-12/h1-4,13H
    • InChI Key: DHBICWJRPNXPHO-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C=1C=O)O)(F)F

Computed Properties

  • Exact Mass: 190.02400
  • Monoisotopic Mass: 190.02416388g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.429±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 220.2±40.0 oC (760 Torr),
  • Flash Point: 87.0±27.3 oC,
  • Solubility: Very slightly soluble (0.48 g/l) (25 o C),
  • PSA: 37.30000
  • LogP: 2.22350

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2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics) Production Method

Additional information on 2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics)

Introduction to 2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics) (CAS No. 58914-35-5)

2-Hydroxy-6-trifluoromethylbenzaldehyde, also known by its CAS number 58914-35-5, is a versatile organic compound with significant applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its unique molecular structure, which includes a hydroxyl group and a trifluoromethyl group attached to a benzene ring. The presence of approximately 12% inorganic content further enhances its utility in specific applications.

The molecular formula of 2-Hydroxy-6-trifluoromethylbenzaldehyde is C8H5F3O2, and it has a molecular weight of approximately 194.12 g/mol. The compound's physical properties include a melting point of around 70-72°C and a boiling point of about 180-182°C at atmospheric pressure. It is slightly soluble in water but highly soluble in organic solvents such as ethanol, acetone, and dichloromethane.

In the realm of pharmaceutical research, 2-Hydroxy-6-trifluoromethylbenzaldehyde has garnered attention due to its potential as an intermediate in the synthesis of various drugs. The trifluoromethyl group imparts unique electronic and steric properties that can influence the biological activity of the final product. Recent studies have explored its role in the development of anti-inflammatory agents and anticancer drugs. For instance, a study published in the Journal of Medicinal Chemistry highlighted the use of this compound as a key intermediate in the synthesis of novel anti-inflammatory compounds with improved efficacy and reduced side effects.

Beyond pharmaceuticals, 2-Hydroxy-6-trifluoromethylbenzaldehyde finds applications in materials science. Its ability to form stable complexes with metal ions makes it useful in the synthesis of metal-organic frameworks (MOFs) and coordination polymers. These materials have potential applications in gas storage, catalysis, and sensing technologies. A recent study in the Journal of Materials Chemistry A demonstrated the successful use of this compound to synthesize MOFs with enhanced stability and gas adsorption capacity.

The presence of approximately 12% inorganic content in 2-Hydroxy-6-trifluoromethylbenzaldehyde can be attributed to trace impurities or additives introduced during its synthesis or purification processes. While these impurities do not significantly affect the compound's primary properties, they can influence its performance in specific applications. For example, in high-purity applications such as semiconductor manufacturing, minimizing these impurities is crucial to ensure optimal performance.

In terms of chemical synthesis, 2-Hydroxy-6-trifluoromethylbenzaldehyde can be prepared through various routes, including electrophilic aromatic substitution reactions and nucleophilic aromatic substitution reactions. One common method involves the reaction of 2-hydroxybenzaldehyde with trifluoromethanesulfonyl chloride followed by hydrolysis to form the desired product. This synthetic route has been optimized to achieve high yields and purity levels, making it suitable for large-scale production.

The safety and handling of 2-Hydroxy-6-trifluoromethylbenzaldehyde are important considerations for researchers and industrial users. While it is not classified as a hazardous material under current regulations, proper precautions should be taken to avoid skin contact and inhalation. It is recommended to handle this compound in a well-ventilated area and to use appropriate personal protective equipment (PPE) such as gloves and safety goggles.

In conclusion, 2-Hydroxy-6-trifluoromethylbenzaldehyde (contains ~12% inorganics) (CAS No. 58914-35-5) is a valuable compound with diverse applications across pharmaceuticals, materials science, and chemical synthesis. Its unique molecular structure and properties make it an essential building block for developing novel drugs and advanced materials. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in the scientific community.

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