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2,4,6-Trifluorobenzoic acid

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2,4,6-Trifluorobenzoic acid Basic information

Product Name:
2,4,6-Trifluorobenzoic acid
Synonyms:
  • BUTTPARK 44\01-13
  • 2,4,6-TRIFLUOROBENZOIC ACID
  • 2,4,6-Trifluorobenzo
  • 2,4,6-trifluorobenzoic acid derivatives
  • 2,4,6-TRIFLUOROBENZIOC ACID
  • 2,4,6-Trilfuorobenzoic acid
  • 2,4,6-TRIFLUOROBENZOIC ACID THE DERIVATIVES
  • 2,4,6-Trifluorobenzoic
CAS:
28314-80-9
MF:
C7H3F3O2
MW:
176.09
EINECS:
220-603-4
Product Categories:
  • Pharm intermediate
  • Fluorine series
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • Benzene series
  • Benzoic acid
  • Heterocyclic Compounds
  • Miscellaneous
  • C7
  • Carbonyl Compounds
  • Carboxylic Acids
Mol File:
28314-80-9.mol
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2,4,6-Trifluorobenzoic acid Chemical Properties

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)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37/39-36
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29163990

MSDS

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2,4,6-Trifluorobenzoic acid Usage And Synthesis

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

2,4,6-Trifluorobenzoic acidSupplier

Shanghai Harvest Chemical Industrial Co., Ltd. Gold
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Suzhou HaoYue Biological Technology Co., Ltd. Gold
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17601474810; 15370097289
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LinkChem Co.,Ltd. Gold
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021-021-58950110 13124863828
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Nanjing LuoDa Chemical Co., Ltd Gold
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025-66016961 13382082786
Hangzhou Chemtrue Bio-Tech Co.,Ltd. Gold
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0571-86828652 19967494293
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