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4-(Trifluoromethyl)nicotinic acid

CAS No.
158063-66-2
Chemical Name:
4-(Trifluoromethyl)nicotinic acid
Synonyms
TFNA;4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID;TFNA Standard;BUTTPARK 43\57-42;RARECHEM AL BO 0760;TFNA 100 μg/ml Acetonitrile;TFNA (flonicamid metabolite);4-(Trifluromethyl)nicotinic acid;-(Trifluoromethyl)nicotinic acid;4-(TRIFLUOROMETHYL)NICOTINIC ACID
CBNumber:
CB0722311
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.11
MDL Number:
MFCD00082626
MOL File:
158063-66-2.mol
MSDS File:
SDS
Last updated:2024-04-23 17:50:46

4-(Trifluoromethyl)nicotinic acid Properties

Melting point 146-148 °C(lit.)
Boiling point 290.4±40.0 °C(Predicted)
Density 1.484±0.06 g/cm3(Predicted)
storage temp. Inert atmosphere,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
pka 2.50±0.36(Predicted)
form Solid
color Pale Yellow to Dark Yellow
InChIKey LMRJHNFECNKDKH-UHFFFAOYSA-N
CAS DataBase Reference 158063-66-2(CAS DataBase Reference)
FDA UNII 04F679X18B
EPA Substance Registry System 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)- (158063-66-2)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
HazardClass  IRRITANT
HS Code  2933399990
NFPA 704
0
2 0

4-(Trifluoromethyl)nicotinic acid price More Price(39)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 518697 4-(Trifluoromethyl)pyridine-3-carboxylic acid 98% 158063-66-2 1g $74.1 2024-03-01 Buy
TCI Chemical T2742 4-(Trifluoromethyl)nicotinic Acid 158063-66-2 1G $45 2024-03-01 Buy
TCI Chemical T2742 4-(Trifluoromethyl)nicotinic Acid 158063-66-2 5G $177 2024-03-01 Buy
Alfa Aesar L19553 4-(Trifluoromethyl)nicotinic acid, 98% 158063-66-2 250mg $68.65 2024-03-01 Buy
Alfa Aesar L19553 4-(Trifluoromethyl)nicotinic acid, 98% 158063-66-2 1g $126.65 2024-03-01 Buy
Product number Packaging Price Buy
518697 1g $74.1 Buy
T2742 1G $45 Buy
T2742 5G $177 Buy
L19553 250mg $68.65 Buy
L19553 1g $126.65 Buy

4-(Trifluoromethyl)nicotinic acid Chemical Properties,Uses,Production

Uses

4-(Trifluoromethyl)-3-Pyridinecarboxylic Acid is a useful synthetic intermediate. It can be used to prepare pyridine carboxamides as palm site inhibitors of HCV NS5B polymerase. It can also be used to synthesize pyrazolylcarboxanilides as Ca2+ release-activated Ca2+ (CRAC) channel inhibitors.

Application

4-(Trifluoromethyl)nicotinic acid is a trifluoromethyl-containing aromatic compound with unique biological activity, which can be used as a precursor material for the preparation of other pesticides or medicines. 4-(Trifluoromethyl)nicotinic acid is a key intermediate of flonicamid, a highly effective insecticide.

Preparation

synthesis of 4-(Trifluoromethyl)nicotinic acid: add 5g (0.0192mol) Methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate in turn to a 100mL three-necked flask, 0.3g of 10% Pd/C (water content 63.45%) ), 5.25g (0.0389mol) CH3COONa 3H2O and 20mL ethanol, after stirring and dissolving, nitrogen was replaced 3 times to discharge air, after hydrogen replacement 2 times, the reaction was stirred at room temperature for 8h under a hydrogen atmosphere until no hydrogen was absorbed to complete the reaction, and suction filtration was recovered. Palladium carbon, washed the filter cake 3 times with ethanol, the filtrate was rotary evaporated to remove the solvent, added 20 mL of water to the obtained solid, fully shaken to dissolve it, added hydrochloric acid to adjust pH=2~3, extracted 3 times with ethyl acetate, The organic phases were combined and washed three times with saturated brine, dried over anhydrous sodium sulfate, and rotary-evaporated to obtain 3.3 g of a pale yellow solid with a yield of 90.4%.

Definition

ChEBI: 4-(trifluoromethyl)nicotinic acid is a member of pyridines and an aromatic carboxylic acid.

13600-43-6
158063-66-2
Synthesis of 4-(Trifluoromethyl)nicotinic acid from 4-(Trifluoromethyl)nicotinonitrile
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View Lastest Price from 4-(Trifluoromethyl)nicotinic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-(Trifluoromethyl)nicotinic acid pictures 2024-04-23 4-(Trifluoromethyl)nicotinic acid
158063-66-2
US $50.00 / kg 1kg 99.10% 50000kg Ouhuang Engineering Materials (Hubei) Co., Ltd
4-(Trifluoromethyl)nicotinic acid pictures 2024-03-28 4-(Trifluoromethyl)nicotinic acid
158063-66-2
US $0.00 / kg 25kg 98% Inquiry PNP Biotech Co. Ltd
4-(Trifluoromethyl)nicotinic acid pictures 2023-11-13 4-(Trifluoromethyl)nicotinic acid
158063-66-2
US $0.00 / Kg/Drum 1Kg/Drum 98% 100tons Wuhan Boye Science And Technology Development Co., Ltd.
4-(Trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-4-(trifluoromethyl)pyridine FlonicaMide Metabolite (TFNA type, 4-TriuoroMethyl nicotinic acid) 4-(TrifluoroMethyl)-3-Pyridinecarboxylic Acid 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)- 4-(Trifluoromethyl)pyridine-3-carboxylic acid 98% 4-(Trifluoromethyl)pyridine-3-carboxylic acid, >=98% 4-(TRIFLUOROMETHYL)NICOTINIC ACID BUTTPARK 43\57-42 4-(Trifluoromethyl)nicotinic acid 98% 4-(Trifluoromethyl)nicotinicacid98% RARECHEM AL BO 0760 4-(Trifluromethyl)nicotinic acid TFNA (flonicamid metabolite) TFNA Standard -(Trifluoromethyl)nicotinic acid 4-(Trifluoromethyl)nicotinic acid ISO 9001:2015 REACH 4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID TFNA 4-Trifluoromethylpyridin-3-carboxylic acid 4- (trifluoromethyl) hydrochloric acid TFNA 100 μg/ml Acetonitrile 158063-66-2 ARYL ACID Building Blocks C7 and C8 Heterocyclic Building Blocks Pyridines Fluorine series Building Blocks C6 to C7 Chemical Synthesis Heterocyclic Building Blocks Carboxylic Acids Pyridines Carboxylic Acids Nitrogen cyclic compounds Pyridine Series