70126-48-6

Basic information

• Product Name: 3-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID
• Synonyms: benzoic acid, 3-(1,1,2,2-tetrafluoroethoxy)-;(1,1,2,3-Tetrafluoroethoxy) Benzoate;3-Carboxy-alpha,alpha,beta,beta-tetrafluorophenetole;3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid 97%;AKOS MSC-0762;AKOS B000186;3-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID;ART-CHEM-BB B000186
• CAS NO: 70126-48-6
• Molecular Formula: C₉H₆F₄O₃
• Molecular Weight: 238.14
• Product Categories: C9;Carbonyl Compounds;Carboxylic Acids
• Mol File: 70126-48-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: 122-126 °C(lit.)
• Boiling Point: 127-128
• Flash Point: 128.2 °C
• Appearance: /
• Density: 1.446 g/cm³
• CAS DataBase Reference: 3-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID(70126-48-6)
• EPA Substance Registry System: 3-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID(70126-48-6)

Safety Data

• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: 3261
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 70126-48-6(Hazardous Substances Data)

Usage

General Description

3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid is a chemical compound with the formula C9H5F4O3. It is a monocarboxylic acid with a benzene ring substituted with a 3-(1,1,2,2-tetrafluoroethoxy) group. 3-(1,1,2,2-TETRAFLUOROETHOXY)BENZOIC ACID is commonly used in the pharmaceutical and agrochemical industries as an intermediate for the synthesis of various compounds. It is also used as a building block for the production of liquid crystals, polymers, and other specialty chemicals. 3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid is known for its high melting point and solubility in organic solvents, making it a valuable component in the production of various chemical products.

Upstream product

• 70126-45-3 3-(1,1,2,2-tetrafluoro-ethoxy)-benzoic acid methyl ester 
• 19438-10-9 methyl 3-hydroxybenzoate 

Downstream Products

• 101975-16-0 1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanone 
• 1373866-56-8 N-methoxy-N-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzamide 
• 1083287-06-2 2-bromo-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanone 
• 1404097-84-2 N-(4-formylbenzyl)-N-(1-(3-(1,1,2,2-tetrafluoroethoxy)benzoyl)piperidin-4-yl)methanesulfonamide 
• 1404097-61-5 C₂₂H₂₂F₄N₂O₃ 
• 1404098-53-8 N-(1-(3-(1,1,2,2-tetrafluoroethoxy)benzoyl)piperidin-4-yl)-N-(4-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzyl)methanesulfonamide 
• 1404097-57-9 tert-butyl (1-(3-(1,1,2,2-tetrafluoroethoxy)benzoyl)piperidin-4-yl)carbamate 
• 76903-40-7 2-(m-1',1',2',2'-tetrafluoroethoxyphenyl)-3,1-benzoxazin-4-one 
• 70126-51-1 3-(1',1',2',2'-tetrafluoroethoxy)-benzoyl chloride 
• 812699-81-3 N-[4-methyl-3-(4-pyrazin-2-yl-pyrimidin-2-ylamino)-phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide 
• 70126-45-3 3-(1,1,2,2-tetrafluoro-ethoxy)-benzoic acid methyl ester 
• 114467-37-7 N,N'-Bis<3,3'-(1,1,2,2-tetrafluoroethoxy)benzoyl>hydrazine 
• 114467-47-9 2,5-Bis-<3,3'-(1,1,2,2-tetrafluoroethoxy)phenyl>-1,3,4-oxadiazole 
• 1005786-48-0 N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-4-methoxyphenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide 

Relevant articles and documents

Changes in the activity and selectivity of herbicides by selective fluorine substitution, taking bentranil and classic analogues as examples

The introduction of fluorine atoms into 2-phenyl-4H-3,1-benzoxazin-4-one (bentranil) led to sweeping changes in its herbicidal properties in some cases, and 5-fluoro-2-phenyl-4H-3,1-benzoxazin-4-one ('fluorobentranil') was found to be the most active compound. It can be prepared from 2-amino-6-fluoro-benzoic acid or by direct halogen exchange of 5-chloro-2-phenyl-4H-3,1-benzoxazin-4-one. The latter reaction was investigated on a pilot scale, including a high-temperature (350°C) potassium fluoride halogen exchange without solvent. When sulfolane was used as a solvent, a side reaction at 220°C - partial decomposition to a diphenylether - could be prevented by addition of a small amount of a radical scavenger. Other intermediates with a pseudohalogen substitution were obtained by side-chain chlorination of suitable methylsulfanyl benzoic acid precursors and halogen exchange. 'Fluorobentranil' shows good broad-leaf activity and selectivity on rice, cereals and maize. In a second case study, the fluoro-substituted anthranilic acids mentioned above were also found to be appropriate for synthesizing herbicidal sulfonylurea (SU) compounds via Meerwein reaction of their aniline function. Methyl 2-[({[(4-chloro-6-methoxy-2- pyrimidinyl)-amino]carbonyl}amino)sulfonyl]-6-fluorobenzoate is an example of a SU that is compatible with maize, whereas the unsubstituted Classic analogue is not selective.