55805-21-5

Basic information

• Product Name: 4-(DIFLUOROMETHYL)BENZOIC ACID
• Synonyms: 4-(DIFLUOROMETHYL)BENZOIC ACID;4-(Difluoromethyl)benzoic acid 97%;4-(Difluoromethyl)benzoicacid97%;4-Carboxybenzal fluoride, alpha,alpha-Difluoro-p-toluic acid
• CAS NO: 55805-21-5
• Molecular Formula: C₈H₆F₂O₂
• Molecular Weight: 172.13
• Mol File: 55805-21-5.mol
• Article Data: 12

Chemical Properties

• Melting Point: 203-205°C
• Boiling Point: 271.6 °C at 760 mmHg
• Flash Point: 118.1 °C
• Appearance: /
• Density: 1.324 g/cm³
• Vapor Pressure: 0.00312mmHg at 25°C
• Refractive Index: 1.503
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 3.88±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 4-(DIFLUOROMETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(DIFLUOROMETHYL)BENZOIC ACID(55805-21-5)
• EPA Substance Registry System: 4-(DIFLUOROMETHYL)BENZOIC ACID(55805-21-5)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 55805-21-5(Hazardous Substances Data)

Usage

General Description

4-(Difluoromethyl)benzoic acid is a chemical compound with the molecular formula C8H6F2O2. It belongs to the class of organic compounds known as benzoic acids, characterized by a benzene ring connected to a carboxylic acid. The presence of the difluoromethyl group provides the molecule unique chemical properties. 4-(Difluoromethyl)benzoic acid may be used as a reagent in the synthesis of various pharmaceutical designs and other complex organic molecules. It should be managed with standard safety precautions as its impacts on human health and the environment are not fully outlined.

InChI:InChI=1/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12)

Upstream product

• 349-95-1 4-(trifluoromethyl)benzylic alcohol 
• 619-66-9 4-Carboxybenzaldehyde 
• 99-94-5 p-Toluic acid 
• 1571-08-0 methyl 4-formylbenzoate 
• 444915-76-8 methyl 4-(difluoromethyl)benzoate 
• 1309-60-0 lead(IV) oxide 
• 105-07-7 4-cyanobenzaldehyde 
• 55805-10-2 4-cyano-1-difluoromethylbenzene 

Downstream Products

• 1373332-71-8 (2S,3R,4S,5S,6S)-2-(4-((4-(difluoromethyl)phenylcarbamoyloxy)methyl)phenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate 
• 1373332-70-7 (2S,3S,4S,5R,6S)-6-(4-((4-(difluoromethyl)phenylcarbamoyloxy)methyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid 
• 1286727-42-1 C₂₁H₂₇F₂NO₃Si 
• 64747-71-3 ethyl p-(difluoromethyl) benzoate 

Relevant articles and documents

Gram-scale synthesis of carboxylic acids via catalytic acceptorless dehydrogenative coupling of alcohols and hydroxides at an ultralow Ru loading

Acceptorless dehydrogenative coupling (ADC) of alcohols and water/hydroxides is an emergent and graceful approach to produce carboxylic acids. Therefore, it is of high demand to develop active and practical catalysts/catalytic systems for this attractive transformation. Herein, we designed and fabricated a series of cyclometallated N-heterocyclic carbene-Ru (NHC-Ru) complexes via ligand tuning of [Ru-1], the superior complex in our previous work. Gratifyingly, gram-scale synthesis of carboxylic acids was efficiently enabled at an ultralow Ru loading (62.5 ppm) in open air. Moreover, effects of distinct ancillary NHC ligands and other parameters on this catalytic process were thoroughly studied, while further systematic studies were carried out to provide rationales for the activity trend of [Ru-1]-[Ru-7]. Finally, determination of quantitative green metrics illustrated that the present work exhibited superiority over representative literature reports. Hopefully, this study could provide valuable input for researchers who are engaging in metal-catalyzed ADC reactions.

Substituted amide phenol compound and its preparation method, pharmaceutical composition and use thereof

The invention discloses substituted-amide phenolic compounds, their preparation method, a pharmaceutical composition and an application thereof. The compounds have a structure as shown in the general formula I, wherein Z, L and Q are as defined in the spe

Transition-metal-free C-H oxidative activation: Persulfate-promoted selective benzylic mono- and difluorination

An operationally simple and selective method for the direct conversion of benzylic C-H to C-F to obtain mono- and difluoromethylated arenes using Selectfluor as a fluorine source is developed. Persulfate can be used to selectively activate benzylic hydrogen atoms toward C-F bond formation without the aid of transition metal catalysts.