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
| 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) |  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 |
|
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 |
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
23228-45-7
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
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Speranza Chemical Co., Ltd. | +86-86-075521030354 +8618688942810 | sophieliu@speranzachem.com | China | 925 | 55 |
| Hebei Zhuanglai Chemical Trading Co Ltd | +86-16264648883 | niki@zlchemi.com | China | 7245 | 58 |
| Capot Chemical Co.,Ltd. | +8613336195806 | sales@capot.com | China | 29731 | 60 |
| Fluoropharm Co., Ltd. | +86-0571-85586753 +86-13336034509 | sales@fluoropharm.com | China | 1445 | 60 |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 33024 | 60 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29855 | 58 |
| Changzhou Ansciep Chemical Co., Ltd. | +86 519 86305871 | sales@ansciepchem.com | CHINA | 4241 | 58 |
| Jinan Carbotang Biotech Co.,Ltd. | +8615866703830 | figo.gao@foxmail.com | China | 8497 | 58 |
| Nanjing Dolon Biotechnology Co.,Ltd. | 18905173768 | sales@dolonchem.com | CHINA | 2972 | 58 |
| Jinan Finer Chemical Co., Ltd | +86-531-88989536 +86-15508631887 | sales@finerchem.com | China | 2955 | 58 |
View Lastest Price from 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
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. | |
 |
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 | |
 |
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-(TRIFLUOROMETHYL)BENZOIC ACID
115029-24-8
- US $0.00-0.00 / KG
- 98%
- Speranza Chemical Co., Ltd.
-
- 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
115029-24-8
- US $10.00 / kg
- 99%
- Hebei Zhuanglai Chemical Trading Co Ltd
-
- 2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
115029-24-8
- US $8.80 / KG
- 97%-99%
- Career Henan Chemical Co
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