5-Brom-2-chlorbenzoesaeure

Bezeichnung:5-Brom-2-chlorbenzoesaeure

CAS-Nr21739-92-4

Englisch Name:5-Bromo-2-chlorobenzoic acid

CBNumberCB9669275

SummenformelC7H4BrClO2

Molgewicht235.46

MOL-Datei21739-92-4.mol

Synonyma

5-Brom-2-chlorbenzoesaeure

5-Brom-2-chlorbenzoesaeure physikalisch-chemischer Eigenschaften

Schmelzpunkt	154-156 °C (lit.)
Siedepunkt	324.5±27.0 °C(Predicted)
Dichte	1.7312 (rough estimate)
Brechungsindex	1.5590 (estimate)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	2.63g/l
pka	2.49±0.25(Predicted)
Aggregatzustand	Solid
Farbe	Off white colored powder
Wasserlöslichkeit	Soluble in water 2.63 g/L @20°C.
BRN	2691432
InChI	InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey	FGERXQWKKIVFQG-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC(Br)=CC=C1Cl
CAS Datenbank	21739-92-4(CAS DataBase Reference)
NIST chemische Informationen	5-Bromo-2-chlorobenzoic acid(21739-92-4)
EPA chemische Informationen	Benzoic acid, 5-bromo-2-chloro- (21739-92-4)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	3
HazardClass	IRRITANT
HS Code	29163900

Gefahreninformationscode (GHS)

5-Bromo-2-chlorobenzoic 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.
Beschreibung
5-Bromo-2-chlorobenzoic acid (BCBA) is an organic reagent that can be used in electroinduced dehalogenation reactions. Ag/Cu electrodes exhibit high electrocatalytic activity in the dehalogenation reaction of BCBA. The process is characterised by a sequence of halide excretion and hydrogen addition. Since the bond dissociation energy value of C-Br bond is smaller than that of C-Cl bond, Br-w is more easily released from the benzene ring. As C-Br breaks, BCBA gains electrons and hydrogen to form the intermediate 2-chlorobenzoate. C-Cl then breaks in the same way to give the final product benzoate.
Chemische Eigenschaften
white to light yellow crystal powder
Verwenden
5-Bromo-2-chlorobenzoic acid was used to evaluate the homogeneity of organic powder. It can be used to produce 2-chloro-5-deuteriobenzoic acid.
Synthese
4.7g (0.03 mol) of 2-chlorobenzoic acid, 40mL of concentrated sulfuric acid and 0.936g (0.012 mol) of sodium sulfide are sequentially added into a 250mL four-mouth bottle, stirred for 20 minutes at 30 ℃ until the solution is clear, then 5.334g N-bromosuccinimide (0.03 mol) is added, the reaction is continued for 10 minutes at 30 ℃, and then the solution is slowly poured into 80mL ice water bath for crystallization to obtain a crude product of the 5-bromo-2-chlorobenzoic acid. Add the filter cake into a 250mL four-mouth bottle, add 24mL methanol and 36mL water, heat to 60 ℃, naturally cool, and stir for crystallization. Filtration, washing with 20mL of 40% volume fraction aqueous methanol, and drying at 55 ℃ for 6 hours gave 6.001g of a white solid, yield: 85.0%.
Einzelnachweise
[1] Fen Wang . “The Electroreductive Dehalogenation Reaction of 5-Bromo-2-chlorobenzoic Acid on Dendritic Ag/Cu.” International Journal of Electrochemical Science 10 6 (2015): Pages 5101-5111.

5-Bromo-2-chlorobenzoic acid Upstream-Materialien And Downstream Produkte

5-Brom-2-chlorbenzoesaeure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

21739-92-4, 5-Bromo-2-chlorobenzoic acid Verwandte Suche:

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