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16518-17-5

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Basic Information
CAS No.: 16518-17-5
Name: POTASSIUM NICOTINATE
Article Data: 7
Molecular Structure:
Molecular Structure of 16518-17-5 (POTASSIUM NICOTINATE)
Formula: C6H5 N O2 . K
Molecular Weight: 161.202
Synonyms: 3-Pyridinecarboxylicacid, potassium salt (9CI); Nicotinic acid, potassium salt (8CI); Potassium3-pyridinecarboxylate; Potassium nicotinate
Density: 1.293g/cm3
Melting Point: 236.6oC
Boiling Point: 292.5°Cat760mmHg
Flash Point: 130.7°C
Hazard Symbols: Low toxicity by ingestion.
Safety: Moderately toxic by intraperitoneal route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.
PSA: 53.02000
LogP: -0.55490
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Chemistry

Product Name: Potassium nicotinate 
CAS Registry Number: 16518-17-5 
Synonyms: 3-Pyridinecarboxylic acid, potassium salt ; EINECS 240-586-7 ; Potassium 3-pyridinecarboxylate ; Nicotinic acid, potassium salt 
IUPAC Name: potassium pyridine-3-carboxylate 
Molecular Weight: 161.19976 [g/mol]
Molecular Formula: C6H4KNO2 
H-Bond Acceptor: 3 
EINECS: 240-586-7 
Flash Point: 130.7 °C
Enthalpy of Vaporization: 56.18 kJ/mol
Boiling Point: 292.5 °C at 760 mmHg
Vapour Pressure: 0.000836 mmHg at 25°C
Following is the molecular structure of Potassium nicotinate (CAS NO.16518-17-5) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 2600mg/kg (2600mg/kg)   Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.
mammal (species unspecified) LD50 oral 9gm/kg (9000mg/kg)   Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.
mammal (species unspecified) LD50 subcutaneous 3gm/kg (3000mg/kg)   Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.

Safety Profile

Moderately toxic by intraperitoneal route. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.

Specification

Descriptors computed from structure, you can know some information about Potassium nicotinate (CAS NO.16518-17-5) :
Canonical SMILES: C1=CC(=CN=C1)C(=O)[O-].[K+]
InChI: InChI=1S/C6H5NO2.K/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey: WCZVUZYEOJQHNJ-UHFFFAOYSA-M