328-90-5

Basic information

• Product Name: 4-Trifluoromethylsalicylic acid
• Synonyms: α,α,α-Trifluoro-2,4-cresotic Acid;4-(Trifluoromethyl)salicylic acid, 2-Carboxy-5-(trifluoromethyl)phenol, 4-Carboxy-3-hydroxybenzotrifluoride;4-(TrifluoroMethyl)salicylic acid, water ≤0.3%;4- threefluorine Methylsalicylate;4-(TrifluoroMethyl)benzoic Acid, 97+%;4-Trifluoro Methyl Salicylic Acid (>=99%);p-Trifluoromethylsalicylicacid;4-(TRIFLUOROMETHYL)SALICYLIC ACID
• CAS NO: 328-90-5
• Molecular Formula: C₈H₅F₃O₃
• Molecular Weight: 206.12
• EINECS: 1312995-182-4
• Product Categories: Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Aromatics
• Mol File: 328-90-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 178 °C
• Boiling Point: 286.4 °C at 760 mmHg
• Flash Point: 127 °C
• Appearance: /
• Density: 1.539 g/cm³
• Vapor Pressure: 0.00124mmHg at 25°C
• Refractive Index: 1.509
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 2.45±0.10(Predicted)
• CAS DataBase Reference: 4-Trifluoromethylsalicylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Trifluoromethylsalicylic acid(328-90-5)
• EPA Substance Registry System: 4-Trifluoromethylsalicylic acid(328-90-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 328-90-5(Hazardous Substances Data)

Usage

Chemical Properties

White to off-white solid

Uses

Different sources of media describe the Uses of 328-90-5 differently. You can refer to the following data:
1. The active metabolite of Triflusal; inhibits cardiac hypertrophy in vitro and in vivo by blocking the NF-κB signaling pathway.
2. The active metabolite of Triflusal

InChI:InChI=1/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)

Upstream product

• 322-79-2 triflusal 
• 455-24-3 4-trifluoromethylbenzoic acid 
• 328-93-8 2,5-bis(trifluoromethyl)aniline 
• 334018-79-0 1-(trifluoromethyl)-3-(methoxymethoxy)benzene 
• 174265-24-8 4-(trifluoromethyl)phenyl methoxymethyl ether 
• 98-17-9 3-Trifluoromethylphenol 
• 402-45-9 4-hydroxybenzotrifluoride 
• 368422-29-1 2-methoxymethoxy-4-(trifluoromethyl)benzene 
• 124-38-9 carbon dioxide 
• 779-88-4 2,5-bis-(trifluoromethyl)phenol 

Downstream Products

• 578-37-0 2-hydroxy-4-trifluoromethyl-benzoic acid-(2-hydroxy-ethyl ester) 
• 402-15-3 2-hydroxy-4-trifluoromethylbenzamide 
• 1359997-24-2 N-(2-(2,2-dibromovinyl)phenyl)-2-hydroxy-4-(trifluoromethyl)benzamide 
• 1042972-97-3 2-hydroxy-4-trifluoromethylbenzoic acid tert-butyl ester 
• 939983-42-3 2-ethoxy-4-trifluoromethyl-benzoic acid ethyl ester 
• 220340-69-2 5-trifluoromethyl-4'-phenylsalicylanilide 
• 345-28-8 2-hydroxy-4-trifluoromethylbenzoic acid methylester 
• 393-46-4 5-amino-2-hydroxy-4-trifluoromethyl-benzoic acid 
• 228572-69-8 1-<2-Hydroxy-4-(trifluoromethyl)phenyl>ethanone 
• 286441-66-5 methyl 2-methoxy-4-(trifluoromethyl)benzoate 
• 29602-00-4 2-hydroxy-4-(methoxycarbonyl)benzoic acid 
• 575-69-9 2-hydroxy-4-trifluoromethyl-benzoic acid anilide 
• 322-79-2 triflusal 
• 349-66-6 2-(hydroxymethyl)-5-(trifluoromethyl)phenol 

Relevant articles and documents

Palladium-catalyzed ortho-C-H hydroxylation of benzoic acids

A simple Pd(OAc)2 catalyzed ortho-hydroxylation of benzoic acids using TBHP as the sole oxidant has been explored. This protocol features relatively broad substrate scope and operational simplicity. The compatibility of ortho-substituted substrates is an effective complement to the previous ortho-hydroxylation reaction.

PD(II)-CATALYZED HYDROXYLATION OF ARENES WITH O2 OR AIR

Pd (II) -catalyzed ortho-hydroxylat ion of variously substituted aromatic carboxylic acids under O2 or air is achieved under non-acidic conditions. Extensive labeling studies support a direct oxygenation of aryl C-H bonds with molecular oxygen.

Pd(II)-catalyzed hydroxylation of arenes with 1 atm of O2 or air

(Chemical Equation Presented) Pd(II)-catalyzed ortho-hydroxylation of variously substituted benzoic acids under 1 atm of O2 or air is achieved under nonacidic conditions. Extensive labeling studies support a direct oxygenation of aryl C-H bonds with molecular oxygen.