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2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID

CAS No.
115029-24-8
Chemical Name:
2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
Synonyms
Benzoic acid, 2-fluoro-4-(trifluoromethyl)-;RARECHEM AL BO 0632;à,à,à,2-tetrafluoro-p-toluic acid;α,α,α,2-Tetrafluoro-p-toluic acid;2-fluoro-4-(rifluoromethyl)benzoic acid;2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID;2-Fluoro-4-(trifluoromethyl)benzoicacid98%;2-Fluoro-4-(trifluoromethyl)benzoic acid,99%;2-Fluoro-4-(trifluoromethyl)benzoic acid 98%;ALPHA,ALPHA,ALPHA,2-TETRAFLUORO-P-TOLUIC ACID
CBNumber:
CB2266820
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.11
MDL Number:
MFCD00010322
MOL File:
115029-24-8.mol
MSDS File:
SDS
Last updated:2025-07-24 18:13:41

2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID Properties

Melting point 168-170 °C(lit.)
Boiling point 231.4±40.0 °C(Predicted)
Density 1.4412 (estimate)
storage temp. Sealed in dry,Room Temperature
form crystals
pka 2.76±0.10(Predicted)
color White
BRN 8409774
InChI InChI=1S/C8H4F4O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey OCIYTBZXTFPSPI-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C(F)(F)F)C=C1F
CAS DataBase Reference 115029-24-8(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

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  36/37/38-37/38-36
Safety Statements  26-37/39-36/37/39-27
WGK Germany  3
HazardClass  IRRITANT
HS Code  29163990
NFPA 704
0
2 0

2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID price More Price(33)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 310867 2-Fluoro-4-(trifluoromethyl)benzoic acid 99% 115029-24-8 5g $58 2024-03-01 Buy
Alfa Aesar L09571 2-Fluoro-4-(trifluoromethyl)benzoic acid, 98+% 115029-24-8 5g $118 2021-12-16 Buy
Alfa Aesar L09571 2-Fluoro-4-(trifluoromethyl)benzoic acid, 98+% 115029-24-8 1g $36.4 2021-12-16 Buy
Alfa Aesar L09571 2-Fluoro-4-(trifluoromethyl)benzoic acid, 98+% 115029-24-8 25g $465 2021-12-16 Buy
TRC F598473 2-Fluoro-4-(trifluoromethyl)benzoic acid 115029-24-8 500mg $65 2021-12-16 Buy
Product number Packaging Price Buy
310867 5g $58 Buy
L09571 5g $118 Buy
L09571 1g $36.4 Buy
L09571 25g $465 Buy
F598473 500mg $65 Buy

2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID Chemical Properties,Uses,Production

Chemical Properties

white crystals

General Description

The molecular properties (both steric as well as electronic) of 2-fluoro-4-(trifluoromethyl)benzoic acid has been studied using molecular orbital and empirical methods.

Synthesis

2-Chloro-4-trifluoromethylbenzoic acid

23228-45-7

2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID

115029-24-8

General steps: 1. First reaction step: 55 mL of tetrahydrofuran and 2,2,6,6-tetramethylpiperidine (15.5 g, 0.11 mol) were mixed under nitrogen protection and cooled to -20 °C. The reaction was carried out at a temperature of -25 °C to -20 °C. A tetrahydrofuran solution of 2 M isopropylmagnesium chloride (53 mL, 0.105 mol) was added slowly and the reaction was stirred for 30 minutes over a temperature range of -25°C to -20°C. The reaction mixture was then cooled to -78 °C and controlled in a temperature range of -78 °C to -65 °C. A solution of m-trifluoromethyl chloride benzene (18.1 g, 0.1 mol) was added to this mixture and reacted for 1 hour. Carbon dioxide gas was then passed into the system until the gas was no longer absorbed. After the reaction was completed, the reaction was terminated with 10% hydrochloric acid solution, 150 mL of ethyl acetate was added and the organic layer was evaporated to dryness for the next step. 2. Second reaction step: the product obtained in the first step was dissolved in 110 mL of dioxane and stirred until completely dissolved. Potassium fluoride dihydrate (20.7 g, 0.22 mol) and 18-crown-6 (0.005 mol) were added and heated to reflux. When the reaction was complete, it was cooled to room temperature and water and 350 mL of ethyl acetate were added. The organic layer was washed with saturated brine and evaporated to dryness. The residue was dissolved in a mixed solvent of methanol and heptane (1:4) and recrystallized to give 2-fluoro-4-trifluoromethylbenzoic acid (11.8 g) in a total yield of 57% in two steps. The product was analyzed by HPLC for 98.8% purity and HNMR analysis showed ≥98% purity.

References

[1] Patent: CN106083563, 2016, A. Location in patent: Paragraph 0011

2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID Preparation Products And Raw materials

Global( 197)Suppliers
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Speranza Chemical Co., Ltd.
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View Lastest Price from 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID pictures 2025-07-29 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
115029-24-8
US $0.00-0.00 / KG 5KG 98% 100KG Speranza Chemical Co., Ltd.
2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID pictures 2025-05-23 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
115029-24-8
US $10.00 / kg 1kg 99% 20 ton Hebei Zhuanglai Chemical Trading Co Ltd
2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID pictures 2019-07-14 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
115029-24-8
US $8.80 / KG 1KG 97%-99% 100kg Career Henan Chemical Co
2-fluoro-4-(rifluoromethyl)benzoic acid 2-Fluoro-4-(trifluoromethyl)benzoic acid,99% α,α,α,2-Tetrafluoro-p-toluic acid 4-Carboxy-3-fluorobenzotrifluoride, 4-Carboxy-alpha,alpha,alpha,3-tetrafluorotoluene 4-Carboxy-3-fluorobenzotrifluoride, alpha,alpha,alpha,2-Tetrafluoro-p-toluic acid 2-Fluoro-4-(trifluoroMethyl)benzoic acid RARECHEM AL BO 0632 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID ALPHA,ALPHA,ALPHA,2-TETRAFLUORO-P-TOLUIC ACID à,à,à,2-tetrafluoro-p-toluic acid 2-Fluoro-4-(trifluoromethyl)benzoic acid 98% 2-Fluoro-4-(trifluoromethyl)benzoicacid98% 4-Carboxy-3-fluorobenzotrifluoride, alpha,alpha,alpha,2-Tetra Benzoic acid, 2-fluoro-4-(trifluoromethyl)- 115029-24-8 C8H3F4O2 ARYL ACID Carboxylic Acids Carbonyl Compounds C8 Building Blocks Organic Building Blocks Fluorine series Fluorobenzene Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts Carboxylic Acids Phenyls & Phenyl-Het Miscellaneous Carboxylic Acids Phenyls & Phenyl-Het C8 Carbonyl Compounds