ChemicalBook > CAS DataBase List > 5-Hydroxynicotinic acid

5-Hydroxynicotinic acid

CAS No.27828-71-3
Chemical Name:5-Hydroxynicotinic acid
CBNumber:CB7447677
Molecular Formula:C6H5NO3
Formula Weight:139.11
MOL File:27828-71-3.mol

5-Hydroxynicotinic acid Property

Melting point 299 °C
Boiling point 519.3±35.0 °C(Predicted)
Density 1.485±0.06 g/cm3(Predicted)
storage temp. Inert atmosphere,Room Temperature
form powder to crystal
pka 2.08±0.10(Predicted)
color 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 DataBase Reference 27828-71-3(CAS DataBase Reference)
EWG's Food Scores 1
UNSPSC Code 12352100
NACRES NA.22

Safety

Hazard Codes :Xi
Risk Statements :36/37/38
Safety Statements :26-37/39
WGK Germany :3
RTECS :QT1757500
Hazard Note :Harmful/Irritant/Keep Cold
HazardClass :IRRITANT
HS Code :29333990

NFPA 704:

	0
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P280a-P304+P340-P405-P501a-P261-P305+P351+P338

5-Hydroxynicotinic acid Price More Price(2)

Brand: ALFA India
Product number: ALF-H30725-06
Product name : 5-Hydroxynicotinic acid, 97%
Purity:
Packaging: 5g
Price: ₹5335
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: H1226
Product name : 5-Hydroxynicotinic Acid
Purity:
Packaging: 5G
Price: ₹6400
Updated: 2022/05/26
Buy: Buy

5-Hydroxynicotinic acid Chemical Properties,Usage,Production

Chemical Properties White to off-white to yellow solid
Uses 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].
References [1] Joseph, Abhinav et al. “Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid?.” CrystEngComm 13 (2019): 2220–2233.