2,4-Difluorbenzoesure

Bezeichnung:2,4-Difluorbenzoesure

CAS-Nr1583-58-0

Englisch Name:2,4-Difluorobenzoic acid

CBNumberCB4700546

SummenformelC7H4F2O2

Molgewicht158.1

MOL-Datei1583-58-0.mol

Synonyma

2,4-Difluorbenzoesure

2,4-Difluorbenzoesure physikalisch-chemischer Eigenschaften

Schmelzpunkt	188-190 °C (lit.)
Siedepunkt	239.5±20.0 °C(Predicted)
Dichte	1.3486 (estimate)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka	3.21±0.10(Predicted)
Aggregatzustand	Solid
Farbe	Pale Orange to Light Pink
Wasserlöslichkeit	SOLUBLE
BRN	973355
InChI	InChI=1S/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey	NJYBIFYEWYWYAN-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC=C(F)C=C1F
CAS Datenbank	1583-58-0(CAS DataBase Reference)
NIST chemische Informationen	2,4-Difluorobenzoic acid(1583-58-0)
EPA chemische Informationen	Benzoic acid, 2,4-difluoro- (1583-58-0)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	3
TSCA	TSCA listed
HazardClass	IRRITANT
HS Code	29163990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

2,4-Difluorobenzoic 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.
Chemische Eigenschaften
white to light yellow crystal powder
Verwenden
2,4-Difluorobenzoic Acid (cas# 1583-58-0) is a compound useful in organic synthesis.
Allgemeine Beschreibung
Molecular conformation, vibrational and electronic transition analysis of 2,4-difluorobenzoic acid has been investigated by experimental techniques (FT-IR, FT-Raman and UV) and quantum chemical calculations.
Synthese
To a reaction vessel was added 2,4-dinitrotoluene, water, adjusted the pH to 7, and heated to 75 C with stirring. Potassium permanganate, magnesium sulfate and phase transfer catalyst were added in batches. After the addition was completed, the reaction was continued to be stirred at constant temperature for 3 hours. Filter while hot and wash the filter cake with hot water. The filtrates were combined and acidified with 35% hydrochloric acid to pH 2-3, with a large amount of white precipitate to be completely precipitated by crystals, then pumped, washed, recrystallized, and dried to obtain white crystals of 2,4-dinitrobenzene formic acid. 2,4-Dinitrotoluene to potassium permanganate in the ratio of substance of 2.4:1. The product yield of this step was 90.7%.
To a reaction vessel was added N,N-dimethylmethylphthalamide, heated to 100~110C, and preheated for 0.5-1 h. Dry anhydrous potassium fluoride was added with stirring, and preheated at a maintained temperature for 0.5-1 h. Then 2,4-dinitrobenzene carboxylic acid and cetyltrimethylammonium bromide were added to the reaction vessel at one time in a rapid manner, and the reaction vessel was continued to be heated to 120C, maintained at a maintained temperature and continued to be stirred. Reaction. After refluxing the reaction for 7h, the solvent was recovered by distillation and the reaction solution was distilled with water vapor. The collected fraction was white emulsion, after standing for a period of time the oily destination fraction basically sank to the bottom, pour off the upper part of the white clear liquid, the oil cooled and precipitated white crystals to get the crude product; the crude product was recrystallized, filtered, washed and dried to get white crystals of 2,4-difluorobenzoic acid. 2,4-Dinitrobenzoic acid and potassium fluoride in the material amount of the ratio of 2.7:1. The yield of the product in this step was 72.4%.

2,4-Difluorobenzoic acid Upstream-Materialien And Downstream Produkte

2,4-Difluorbenzoesure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

1583-58-0, 2,4-Difluorobenzoic acid Verwandte Suche:

Send Inquriy