2,4,6-Trifluorobenzoic acid

Bezeichnung:2,4,6-Trifluorobenzoic acid

CAS-Nr28314-80-9

Englisch Name:2,4,6-Trifluorobenzoic acid

CBNumberCB4463593

SummenformelC7H3F3O2

Molgewicht176.09

MOL-Datei28314-80-9.mol

2,4,6-Trifluorobenzoic acid physikalisch-chemischer Eigenschaften

Schmelzpunkt	142-145 °C (lit.)
Siedepunkt	218.2±35.0 °C(Predicted)
Dichte	1.4362 (estimate)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
pka	2.28±0.10(Predicted)
Farbe	White to Light yellow
BRN	1958300
InChIKey	SJZATRRXUILGHH-UHFFFAOYSA-N
CAS Datenbank	28314-80-9(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39-36
WGK Germany	3
HazardClass	IRRITANT
HS Code	29163990

Gefahreninformationscode (GHS)

2,4,6-Trifluorobenzoic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
white to light yellow crystal powder
Verwenden
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.
Allgemeine Beschreibung
2,4,6-Trifluorobenzoic acid is a fluorobenzoic acid. Crystal structure of 2,4,6-trifluorobenzoic acid has been studied.
Synthese
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 Upstream-Materialien And Downstream Produkte

2,4,6-Trifluorobenzoic acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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