80194-68-9

Basic information

• Product Name: 3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
• Synonyms: BUTTPARK 27\01-87;5-Chloro-3-(trifluoromethyl)-2-pyridinecarboxylic acid;3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylateacid;2-Carboxy-3-chloro-5-(trifluoromethyl)pyridine, 3-Chloro-5-(trifluoromethyl)picolinic acid;3-Chloro-5-(trifluoroMethyl)picolinic acid;2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoroMethyl)-;2-pyridinecarboxylic acid, 3-chloro-6-(trifluoroMethyl)-;3-CHLORO-5-(TRIFLUOROMETHYL)-A-PICOLINIC
• CAS NO: 80194-68-9
• Molecular Formula: C₇H₃ClF₃NO₂
• Molecular Weight: 225.55
• Mol File: 80194-68-9.mol
• Article Data: 6

Chemical Properties

• Melting Point: 141-143°
• Boiling Point: 269.6 °C at 760 mmHg
• Flash Point: 116.9 °C
• Appearance: /
• Density: 1.603 g/cm³
• Vapor Pressure: 0.00353mmHg at 25°C
• Refractive Index: 1.496
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 1.77±0.25(Predicted)
• CAS DataBase Reference: 3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID(80194-68-9)
• EPA Substance Registry System: 3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID(80194-68-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 80194-68-9(Hazardous Substances Data)

Usage

General Description

3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid is a chemical compound with the molecular formula C8H4ClF3NO2. It is a derivative of pyridine and contains both a chloro and trifluoromethyl group, along with a carboxylic acid functional group. 3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID is commonly used in the synthesis of pharmaceuticals and agrochemicals due to its diverse reactivity and ability to serve as a building block for more complex molecules. Its unique structure and properties make it valuable in the field of organic chemistry and medicinal chemistry, as it can be used as a starting material for the production of a wide range of biologically active compounds.

InChI:InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)

Upstream product

• 128073-16-5 3-chloro-5-trifluoromethylpyridine-2-carboxylic acid ethyl ester 
• 80194-70-3 3-chloro-2-cyano-5-(trifluoromethyl)pyridine 
• 75806-84-7 2-bromo-3-chloro-5-(trifluoromethyl)pyridine 
• 923251-81-4 ethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-2-cyanoacetate 

Downstream Products

• 80194-72-5 3-chloro-5-trifluoromethyl-2-pyridinecarboxylic acid chloride 
• 1346146-79-9 3-chloro-5-trifluoromethyl-pyridine-2-carboxylic acid [4-fluoro-3-((R)-3-methyl-5-oxo-[1,4]oxazepan-3-yl)phenyl]amide 
• 1616681-85-6 3-chloro-5-trifluoromethyl-N-[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]picolinamide 
• 1616679-35-6 3-ethylsulfanyl-5-trifluoromethyl-N-[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]picolinamide 
• 1624603-50-4 N-(3-((4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-3-chloro-5-(trifluoromethyl)picolinamide 
• 338758-69-3 3-chloro-5-(trifluoromethyl)picolinamide 
• 1624604-86-9 N-(3-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-4,5-difluorophenyl)-3-chloro-5-(trifluoromethyl)picolinamide 

Relevant articles and documents

Preparative method for carboxylic acids

A preparative method for carboxylic acids is disclosed in the present invention. The method is characterized in that: compounds (II) are reacted in the presence of hydrogen peroxide and base to produce target products (I), as represented by the following reaction scheme: wherein R1 is aryl, pyridyl, pyrimidyl, pyridazinyl, pyrazinyl, benzothienyl, benzofuranyl, quinolinyl, isoquinolinyl, thiadiazolyl, C1-6 alkyl, C3-6 cycloalkyl, C2-6 alkenyl, C2-6 alkynyl and hydrogen; R2 is alkoxycarbonyl, alkylaminocarbonyl, aminocarbonyl, alkylthiolcarbonyl, cyano, sulfonyl, sulfinyl, carbonyl, aldehyde, carboxyl, nitro, alkyl and hydrogen; R3 is alkoxycarbonyl, alkyl amido carbonyl, aminocarbonyl, cyano, sulfonyl, sulfinyl, carbonyl, carboxyl and nitro. The present invention has the following main benefits: cheap and readily available starting materials, safe processes, high yield, good quality, which facilitates industrial production.

Herbicides

Compounds of formula (I) in which A is ═N— or (a); W is a group (W1), (W2) or (W3); R11is hydrogen, fluorine, chlorine, bromine or methyl; and R1to R5, R13,n1and n13are as defined in claim 1, and the pyrazole N-oxydes, agrochemically tolerated salts and stereoisomers of these compounds of formula (I), have good pre- and post-emergent selective herbicidal properties. The preparation of these compounds and their use as herbidical active substances are described.

Novel herbicides

The invention relates to novel herbicidally active cyclohexanediones of formula I or I' STR1 in which R1 and R2 independently of one another are each hydrogen; halogen; nitro; cyano; C1 -C4 alkyl; C1 -C4 alkoxy; C1 -C4 alkyl-S(O)n --; COR8 ; C1 -C4 haloalkoxy; or C1 -C4 haloalkyl; R3, R4 and R5 independently of one another are each hydrogen; C1 -C4 alkyl; or phenyl or benzyl each unsubstituted or substituted by up to three identical or different substituents from halogen, nitro, cyano, C1 -C4 alkyl, C1 -C4 alkoxy, C1 -C4 alkyl-S(O)n --, C1 -C4 haloalkyl, C1 -C4 haloalkyl-S(O)n -- and C1 -C4 haloalkoxy; R6 is hydrogen; C1 -C4 alkyl, C1 -C4 alkoxycarbonyl; or cyano; R7 is OH; or O? M≈ ; R8 is OH; C1 -C4 alkoxy; NH2 ; C1 -C4 alkylamino; or di-C1 - C4 alkylamino; n is 0, 1 or 2; M+ is a cation equivalent of a metal ion or of an ammonium ion that is unsubstituted or substituted by up to three C1 -C4 alkyl, C1 -C4 hydroxyalkyl or C1 -C4 alkoxy-C1 -C4 alkyl groups, to herbicidal compositions, to processes for the preparation of novel compounds and to novel intermediates and the preparation thereof.