2,4,6-Trifluorobenzoic acid
- CAS No.
- 28314-80-9
- Chemical Name:
- 2,4,6-Trifluorobenzoic acid
- Synonyms
- 2,4,6-TrifL;BUTTPARK 44\01-13;2,4,6-TRIFLUOROBEN;RARECHEM AL BO 0448;TIMTEC-BB SBB006688;Lasmiditan Impurity;2,4,6-Trifluorobenzo;Lamidipan Impurity 1;2,4,6-Trifluorobenzoic;2,4,6-TRIFLUOROBENZOIC ACID
- CBNumber:
- CB4463593
- Molecular Formula:
- C7H3F3O2
- Molecular Weight:
- 176.09
- MOL File:
- 28314-80-9.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/11/16 9:10:19
| Melting point | 142-145 °C (lit.) |
|---|---|
| Boiling point | 218.2±35.0 °C(Predicted) |
| Density | 1.4362 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 2.28±0.10(Predicted) |
| color | White to Light yellow |
| BRN | 1958300 |
| InChIKey | SJZATRRXUILGHH-UHFFFAOYSA-N |
| CAS DataBase Reference | 28314-80-9(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a-P261-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39-36 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163990 | |||||||||
| NFPA 704 |
|
2,4,6-Trifluorobenzoic acid price More Price(3)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| ALFA India | ALF-A19758-06 | 2,4,6-Trifluorobenzoic acid, 98% | 28314-80-9 | 5g | ₹17263 | 2022-05-26 | Buy |
| TCI Chemicals (India) | T2409 | 2,4,6-Trifluorobenzoic Acid min. 98.0 % | 28314-80-9 | 1G | ₹4700 | 2022-05-26 | Buy |
| ALFA India | ALF-A19758-03 | 2,4,6-Trifluorobenzoic acid, 98% | 28314-80-9 | 1g | ₹5723 | 2022-05-26 | Buy |
2,4,6-Trifluorobenzoic acid Chemical Properties,Uses,Production
Chemical Properties
white to light yellow crystal powder
Uses
2,4,6-Trifluorobenzoic Acid is used in preparation of Difluorophenol.
Application
The 2,4,6-Trifluorobenzoic acid is crucial and an important raw material for preparing the photosensitizers, medicines and pesticides, and also finds applications in pharmaceutical and agrochemical industries.
General Description
2,4,6-Trifluorobenzoic acid is a fluorobenzoic acid. Crystal structure of 2,4,6-trifluorobenzoic acid has been studied.
Synthesis
Add 90 grams of 2,4,6-trifluoro-3,5-dichlorobenzoic acid, 540 grams of water, 33 grams of magnesium oxide, and 0.9 grams of 10% wet palladium-carbon to a 1-liter pressure-resistant reactor. Replace the gas with nitrogen 3 times, and then replace the gas with hydrogen 5 times. Use hydrogen to control the internal pressure of the kettle to 0.8-0.9 MPa, turn on the stirring, increase the temperature to 80-85°C for 10 hours, and stop the reaction. The reaction system is lowered to room temperature, the pressure in the kettle is removed, the reaction liquid is filtered, and the filtrate is adjusted to pH 1-2 with 20% hydrobromic acid solution, filtered, and the filter cake is rinsed and dried to obtain 2,4,6-Trifluorobenzoic acid 62.95 grams, the yield is 97.3%, and the purity is 99.1%.
Structure and conformation
In the title compound, C7H3F3O2, the C—C—C angles in the ring are greater than 120° for F-bonded C atoms [123.69 (13), 123.88 (12) and 123.66 (12)°]. In the crystal, inter-molecular O—H—O hydrogen bonds between carboxyl groups give rise to the formation of a centrosymmetric dimer, while dispersive F—O contacts [2.8849 (16) Å] connect the dimers into infinite strands along the a axis.
2,4,6-Trifluorobenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| VGS SYNTHESIS PRIVATE LIMITED | +91-9866975588 +91-9866975588 | Hyderabad, India | 1818 | 58 | Inquiry |
| Pharmaffiliates Analytics and Synthetics P. Ltd | +91-172-5066494 | Haryana, India | 6773 | 58 | Inquiry |
| Pharma Affiliates | 172-5066494 | Haryana, India | 6761 | 58 | Inquiry |
| VASIN BIO LIFE SCIENCES PVT LTD | 9491644688 | Hyderabad, India | 2096 | 58 | Inquiry |
| SynZeal Research Pvt Ltd | +1 226-802-2078 | Gujarat, India | 6522 | 58 | Inquiry |
| SL Drugs and Pharmaceuticals Pvt. Ltd. | +91 (40) 6661-1133 | New Delhi, India | 2688 | 50 | Inquiry |
| CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6707 | 30 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
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