3-Nitrobenzoesäure

Bezeichnung:3-Nitrobenzoesäure

CAS-Nr121-92-6

Englisch Name:3-Nitrobenzoic acid

CBNumberCB1709821

SummenformelC7H5NO4

Molgewicht167.12

MOL-Datei121-92-6.mol

Synonyma

3-Nitrobenzoesure

3-Nitrobenzoesäure

3-Nitrobenzoesäure physikalisch-chemischer Eigenschaften

Schmelzpunkt	139-141 °C(lit.)
Siedepunkt	295.67°C (rough estimate)
Dichte	1,494 g/cm³
Dampfdichte	5.76 (vs air)
Dampfdruck	0.005Pa at 25℃
Brechungsindex	1.6280 (estimate)
Flammpunkt	190 °C
storage temp.	no restrictions.
Löslichkeit	water: soluble3g/L at 25°C
Aggregatzustand	Crystals or Powder
pka	3.47(at 25℃)
Farbe	Slightly green to light yellow
PH	3 (5g/l, H2O, 20℃)(aqueous suspension)
Säure-Base-Indikators(pH-Indikatoren)	3
Wasserlöslichkeit	<0.01 g/100 mL at 18 ºC
Merck	14,6588
BRN	908644
Stabilität	Stable. Combustible. Incompatible with strong oxidizing agents.
InChIKey	AFPHTEQTJZKQAQ-UHFFFAOYSA-N
LogP	1.1 at 25℃
CAS Datenbank	121-92-6(CAS DataBase Reference)
NIST chemische Informationen	Benzoic acid, 3-nitro-(121-92-6)
EPA chemische Informationen	m-Nitrobenzoic acid (121-92-6)

Sicherheit

Kennzeichnung gefährlicher	Xn,Xi
R-Sätze:	22-36/37-33-36/37/38
S-Sätze:	26-24/25
WGK Germany	3
RTECS-Nr.	DH5000000
Selbstentzündungstemperatur	490 °C
Hazard Note	Irritant
TSCA	Yes
HS Code	29163900
Giftige Stoffe Daten	121-92-6(Hazardous Substances Data)

Gefahreninformationscode (GHS)

3-Nitrobenzoic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R36/37:Reizt die Augen und die Atmungsorgane.
R33:Gefahr kumulativer Wirkungen.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S24/25:Berührung mit den Augen und der Haut vermeiden.
Chemische Eigenschaften
White or light yellow monoclinic leaf-like crystal. Soluble in acetone, chloroform, ethanol and ether, slightly soluble in benzene, water, carbon disulfide and petroleum ether, more soluble in hot water. It smells like almonds. 3-nitrobenzoic acid is quite a strong acid, it is soluble in a relatively weak base. It is about ten times more acidic than benzoic acid.The conjugate base of benzoic acid is stabilised by the presence of the electron withdrawing nitro group which explains its increased acidity in comparison to unsubstituted benzoic acid.
Verwenden
3-Nitrobenzoic acid was used to investigated the role of ozone as additional decomposition or finishing reagent in the degradation of o-, m- and p-nitobenzoic acids
Application
3-Nitrobenzoic acid is an intermediate of photosensitive materials, functional pigments and drugs. In the pharmaceutical industry, it is used to produce bile acid, acetic acid and so on.
m-nitrobenzoic acid is a reagent used in the coupling of allyl acetate to allylic, aliphatic and benzylic alcohols. It is also used as a chemoattractant against Pseudomonas strains.
synthetische
3-Nitrobenzoic acid is prepared by nitrating benzoic acid at low temperature. Approximately 20% of the 2-nitro isomer and 1.5% of the 4-nitro isomer are co-produced. The 3-nitrobenzoic acid can be purified by recrystallization of the sodium salt. The oxidation of 3-nitrobenzaldehyde, prepared by the controlled oxidation of benzaldehyde, gives a higher yield.
Synthesis Reference(s)
Organic Syntheses, Coll. Vol. 1, p. 391, 1941
The Journal of Organic Chemistry, 46, p. 3056, 1981 DOI: 10.1021/jo00328a013
Allgemeine Beschreibung
Off white to yellowish-white crystals. Bitter taste. Melts in hot water.
Air & Water Reaktionen
Insoluble in water.
Reaktivität anzeigen
3-Nitrobenzoic acid is incompatible with strong oxidizers. 3-Nitrobenzoic acid is also incompatible with strong bases. 3-Nitrobenzoic acid may react with cyanides.
Brandgefahr
Flash point data for 3-Nitrobenzoic acid are not available but 3-Nitrobenzoic acid is probably combustible.
Flammability and Explosibility
Non flammable
läuterung methode
Crystallise the acid from *benzene, H2O, EtOH (charcoal), glacial acetic acid or MeOH/H2O. Dry and store it in a vacuum desiccator. The amide has m 143o (from H2O or *C6H6). [Beilstein 9 III 1489, 9 IV 1055.]

3-Nitrobenzoic acid Upstream-Materialien And Downstream Produkte

3-Nitrobenzoesäure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

121-92-6, 3-Nitrobenzoic acid Verwandte Suche:

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