4-Nitro-m-toluylsure

Bezeichnung:4-Nitro-m-toluylsure

CAS-Nr3113-71-1

Englisch Name:3-Methyl-4-nitrobenzoic acid

CBNumberCB2720513

SummenformelC8H7NO4

Molgewicht181.15

MOL-Datei3113-71-1.mol

Synonyma

4-Nitro-m-toluylsure

4-Nitro-m-toluylsure physikalisch-chemischer Eigenschaften

Schmelzpunkt	216-218 °C (lit.)
Siedepunkt	314.24°C (rough estimate)
Dichte	1.4283 (rough estimate)
Brechungsindex	1.5468 (estimate)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	slightly sol. in Alcohol
Aggregatzustand	Amorphous Powder
pka	3.49±0.10(Predicted)
Farbe	Yellow
Wasserlöslichkeit	<0.1 g/100 mL at 22 ºC
BRN	1959154
InChIKey	XDTTUTIFWDAMIX-UHFFFAOYSA-N
CAS Datenbank	3113-71-1(CAS DataBase Reference)
NIST chemische Informationen	3-Methyl-4-nitrobenzoic acid(3113-71-1)
EPA chemische Informationen	3-Methyl-4-nitrobenzoic acid (3113-71-1)

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	36/37/38-20/21/22
S-Sätze:	26-36-36/37/39-22
WGK Germany	3
Hazard Note	Irritant
TSCA	Yes
HS Code	29163900

Gefahreninformationscode (GHS)

3-Methyl-4-nitrobenzoic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S22:Staub nicht einatmen.
Chemische Eigenschaften
white to light yellow crystal powder
Verwenden
3-Methyl-4-nitrobenzoic Acid is used as a reagent in the synthesis of influenza neuraminidase inhibitors with pyrrolidinobenzoic acid scaffold containing lipophilic side chains.
synthetische
3-Methyl-4-nitrobenzoic acid was synthesized via oxidation of 2,4-(dimethylnitrobenzene) with mole-(cular) oxygen catalyzed by cobalt acetate in acetic acid in the presence of an initiator.It was found that the yield of 3-methyl-4-nitrobenzoic acid increased remarkably with the addition of sodium bromide as a co-(catalyst).The reaction was carried out at 130 ℃ for 8 h at 0.8 MPa of oxygen in the presence of 0.017 mol of cobalt acetate,(0.017 mol) of sodium bromide,and 0.30 mol of 2-butanone with 1.00 mole of 2,4-dimethylnitrobenzene.(Under) these conditions 99% of the reactant converted with a selectivity of 52% to 3-methyl-4-(nitrobenzoic) acid,and the yield of 3methyl-4-(nitrobenzoic) acid was 51%.The reaction mechanism and the function of(sodium) bromide were discussed.According to the fact that the reaction could not proceed without the presence of an initiator,it was proposed that the reaction took place via a free radical mechanism,and(sodium) bromide reacted with Co(Ⅲ) to generate bromine radicals,which promoted the formation of benzyl radicals.
Synthesis of 3-Methyl-4-nitrobenzoic Acid via Catalytic Oxidation with Molecular Oxygen
Method for preparing 3-methyl-4-nitrobenzoic acid by oxidizing with nitric acid
Allgemeine Beschreibung
Needles or off white powder.
Air & Water Reaktionen
Insoluble in water.
Reaktivität anzeigen
3-Methyl-4-nitrobenzoic acid is a nitrated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.
Brandgefahr
Flash point data for 3-Methyl-4-nitrobenzoic acid are not available; however, 3-Methyl-4-nitrobenzoic acid is probably combustible.

3-Methyl-4-nitrobenzoic acid Upstream-Materialien And Downstream Produkte

4-Nitro-m-toluylsure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

3113-71-1, 3-Methyl-4-nitrobenzoic acid Verwandte Suche:

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