5-Hydroxynicotinic acid

Bezeichnung:5-Hydroxynicotinic acid

CAS-Nr27828-71-3

Englisch Name:5-Hydroxynicotinic acid

CBNumberCB7447677

SummenformelC6H5NO3

Molgewicht139.11

MOL-Datei27828-71-3.mol

5-Hydroxynicotinic acid physikalisch-chemischer Eigenschaften

Schmelzpunkt	299 °C
Siedepunkt	519.3±35.0 °C(Predicted)
Dichte	1.485±0.06 g/cm3(Predicted)
storage temp.	Inert atmosphere,Room Temperature
Aggregatzustand	powder to crystal
pka	2.08±0.10(Predicted)
Farbe	White to Yellow
BRN	115847
InChI	InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)
InChIKey	ATTDCVLRGFEHEO-UHFFFAOYSA-N
SMILES	C1=NC=C(O)C=C1C(O)=O
CAS Datenbank	27828-71-3(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	3
RTECS-Nr.	QT1757500
Hazard Note	Harmful/Irritant/Keep Cold
HazardClass	IRRITANT
HS Code	29333990

Gefahreninformationscode (GHS)

5-Hydroxynicotinic 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.
Chemische Eigenschaften
White to off-white to yellow solid
Verwenden
5-Hydroxynicotinic acid is a nicotinic acid analog with potential inhibitory effect on the metabolism nicotinic acid by human platelets. Used in the investigation of the hydroxylation mechanism of the flaovoprotein 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO).
Definition
ChEBI: 5-Hydroxynicotinic acid is an aromatic carboxylic acid and a member of pyridines.
Research
5-hydroxynicotinic acid (5HNA) could be used as a model the following questions were addressed: (i) is it possible to promote the crystallization of a tautomeric form dominant in a specific solvent through solvate formation? (ii) Does that form persist if the memory of solvation is erased through thermal desolvation?
A thermodynamic analysis based on DSC and Calvet drop microcalorimetry results allowed us to rationalize these observations, indicating that (i) 5HNA·H2O is predicted to spontaneously lose water, even for a relative humidity of 100%, hence its robustness is most certainly of kinetical origin; (ii) 5HNA·DMSO is thermodynamically stable when a saturation DMSO pressure can be established over the sample, but becomes unstable when exposed to an atmosphere where the solvent is absent. The kinetically easier desolvation of 5HNA·DMSO compared to 5HNA·H2O may be related to the fact that water is isolated in the crystal lattice (isolated site hydrate) while DMSO is placed in channels (channel solvate)[1].
Einzelnachweise
[1] Joseph, Abhinav et al. “Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid?.” CrystEngComm 13 (2019): 2220–2233.

5-Hydroxynicotinic acid Upstream-Materialien And Downstream Produkte

5-Hydroxynicotinic acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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