4-Iodo-3-nitrobenzoic acid

Bezeichnung:4-Iodo-3-nitrobenzoic acid

CAS-Nr35674-27-2

Englisch Name:4-Iodo-3-nitrobenzoic acid

CBNumberCB5372047

SummenformelC7H4INO4

Molgewicht293.02

MOL-Datei35674-27-2.mol

4-Iodo-3-nitrobenzoic acid physikalisch-chemischer Eigenschaften

Schmelzpunkt	208-211°C
Siedepunkt	390.2±37.0 °C(Predicted)
Dichte	2.156±0.06 g/cm3(Predicted)
storage temp.	2-8°C(protect from light)
Aggregatzustand	powder to crystal
pka	3.32±0.10(Predicted)
Farbe	Light orange to Yellow to Green
Wasserlöslichkeit	Insoluble in water.
Sensitive	Light Sensitive
InChI	InChI=1S/C7H4INO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey	DNMTZLCNLAIKQC-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC=C(I)C([N+]([O-])=O)=C1

Sicherheit

R-Sätze:	20/21/22-36/37/38
S-Sätze:	22-26-36/37/39
HS Code	2916399090

Gefahreninformationscode (GHS)

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

R-Sätze Betriebsanweisung:
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Verwenden
4-Iodo-3-nitrobenzoic acid is used as a pharmaceutical intermediate.
Synthese

1588-83-6

35674-27-2

Example 1 Preparation of 4-iodo-3-nitrobenzoic acid (Compound V): 45 g (0.25 mol) of 4-amino-3-nitrobenzoic acid, 400 mL of deionized water and 100 mL of concentrated hydrochloric acid were added to a reaction flask. Stirring was turned on and the reaction mixture was cooled to 0 to 5 °C before 50 mL of an aqueous solution containing 25.9 g (0.38 mol) of sodium nitrite was slowly added dropwise. Gradual dissolution of the solid was observed. After the dropwise addition was completed, the reaction was maintained at 0 to 5°C and continued for 1 hour. Subsequently, 200 mL of an aqueous solution containing 88 g (0.5 mol) of potassium iodide was slowly added dropwise at the same temperature. After completion of the dropwise addition, the reaction mixture was stirred at room temperature for 2 hours, during which time a solid precipitated. The solid product was collected by filtration, washed with deionized water and dried to give 65 g (0.22 mol) of 4-iodo-3-nitrobenzoic acid (compound V) in 89.7% yield.
Einzelnachweise
[1] Patent: US2013/225810, 2013, A1. Location in patent: Paragraph 0081; 0082
[2] Tetrahedron, 2005, vol. 61, # 42, p. 10113 - 10121
[3] Tetrahedron Letters, 1997, vol. 38, # 46, p. 7963 - 7966
[4] Patent: WO2005/40157, 2005, A2. Location in patent: Page/Page column 67-68
[5] Patent: WO2010/62171, 2010, A2. Location in patent: Page/Page column 140

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

4-Iodo-3-nitrobenzoic acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

35674-27-2, 4-Iodo-3-nitrobenzoic acid Verwandte Suche:

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