Isonicotinamid

Bezeichnung:Isonicotinamid

CAS-Nr1453-82-3

Englisch Name:Isonicotinamide

CBNumberCB8259608

SummenformelC6H6N2O

Molgewicht122.12

MOL-Datei1453-82-3.mol

Synonyma

Isonicotinamid

Isonicotinamid physikalisch-chemischer Eigenschaften

Schmelzpunkt	155-157 °C(lit.)
Siedepunkt	227.52°C (rough estimate)
Dichte	1.2236 (rough estimate)
Brechungsindex	1.5350 (estimate)
storage temp.	Store below +30°C.
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
pka	pK1: 3.61(+1) (20°C)
Aggregatzustand	Solid
Farbe	White to Off-White
Wasserlöslichkeit	191.7 g/L (37 ºC)
BRN	2173
Kosmetik-Inhaltsstoffe Funktionen	SKIN CONDITIONING
InChI	1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKey	VFQXVTODMYMSMJ-UHFFFAOYSA-N
SMILES	NC(=O)c1ccncc1
LogP	-0.28
CAS Datenbank	1453-82-3(CAS DataBase Reference)
NIST chemische Informationen	4-Pyridinecarboxamide(1453-82-3)
EPA chemische Informationen	Isonicotinamide (1453-82-3)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36
WGK Germany	3
RTECS-Nr.	NR9500000
Hazard Note	Irritant
TSCA	TSCA listed
HS Code	29333999
Speicherklasse	11 - Combustible Solids

Gefahreninformationscode (GHS)

Isonicotinamide 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.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
white crystalline powder
Verwenden
Isonicotinamide is an isomeric analogue of nicotinamide and a metabolite of isonicotinic thioamide. Isonicotinamide strongly inducde apoptosis in human acute myelomonocytic leukemia cells, HL-60.
Application
Isonicotinamide (pyridine-4-carboxamide) can be used as a heterocyclic building block to synthesize:
4-oxo-1,3-thiazinan-3-yl isonicotinamide derivatives as potential anti-tubercular agents.
Organotin(IV) complexes of isonicotinamide via synthesis of phosphoramidate ligands for various biological activity studies.
Bis-pyridinium isonicotinamide derivatives of 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide as potent reactivators sarin.
Isonicotinamide can also be used as a co-former with active pharmaceutical ingredients (APIs) to prepare co-crystals.
synthetische
synthesis of isonicotinamide: In 6g tert-amyl alcohol, add 100mg ferric oxide, 100mg cobalt tetroxide and 100mg manganese dioxide (mass percentage in the mixture: 4.6%), 60mg 4-cyanopyridine (mass percentage in the mixture: 0.91%), 200uL Water (mass percentage in the mixture: 3.0%), mix well; react at 80°C for 24 hours, the conversion rate of 4-cyanopyridine is 99.0%, and the selectivity of the corresponding Isonicotinamide is 99.0%.
Definition
ChEBI: Isonicotinamide is a pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid. It derives from an isonicotinic acid.
läuterung methode
Recrystallise isonicotinamide from hot water or isopropanol (158.5-159o), and dry it in a vacuum at 100o. The picrate crystallises from aqueous EtOH or H2O and has m 217-218o (214-215o). [Beilstein 22 III/IV 527, 22/2 V 195.]

Isonicotinamide Upstream-Materialien And Downstream Produkte

Isonicotinamid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

1453-82-3, Isonicotinamide Verwandte Suche:

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