ContaminantDB: Potassium nitrate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (10)XML

Record Information

Version

1.0

Creation Date

2009-08-05 17:31:35 UTC

Update Date

2026-05-14 19:06:54 UTC

Accession Number

CHEM002557

Identification

Common Name

Potassium nitrate

Class

Small Molecule

Description

Potassium nitrate is a nitrate of potassium. It is used as an oxidizing component of gunpowder, a preservative, a fertilizer, and can also be found in some toothpastes. Nitrite is a toxic compound known to cause methemoglobinemia. (4, 6)

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
OECD HPV Chemicals
T3DB toxins
ToxCast & Tox21 Chemicals

Contaminant Type

Fertilizer
Food Toxin
Household Toxin
Industrial/Workplace Toxin
Inorganic Compound
Nitrate
Nitrite
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Kaliumnitrat	ChEBI
Niter	ChEBI
Nitrate OF potash	ChEBI
Nitre	ChEBI
Nitric acid, potassium salt	ChEBI
Salt peter	ChEBI
Saltpeter	ChEBI
Saltpetre	ChEBI
Sensodyne	Kegg
Nitric acid OF potash	Generator
Nitrate, potassium salt	Generator
Potassium nitric acid	Generator
Potassium nitrate monohydrate	MeSH
Potassium nitric acid (kno3)	Generator

Chemical Formula

KNO₃

Average Molecular Mass

101.103 g/mol

Monoisotopic Mass

100.952 g/mol

CAS Registry Number

7757-79-1

IUPAC Name

potassium nitrate

Traditional Name

potassium nitrate

SMILES

[K+].[O-][N+]([O-])=O

InChI Identifier

InChI=1S/K.NO3/c;2-1(3)4/q+1;-1

InChI Key

FGIUAXJPYTZDNR-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as alkali metal nitrates. These are inorganic compounds in which the largest oxoanion is nitrate, and in which the heaviest atom not in an oxoanion is an alkali metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal nitrates

Direct Parent

Alkali metal nitrates

Alternative Parents

Substituents

Alkali metal nitrate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

potassium salt (CHEBI:63043 )
inorganic nitrate salt (CHEBI:63043 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

fertilizer

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	334°C
Boiling Point	400°C
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	0.028	ChemAxon
pKa (Strongest Acidic)	-1.4	ChemAxon
pKa (Strongest Basic)	-6.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	68.88 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	9.85 m³·mol⁻¹	ChemAxon
Polarizability	3.24 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0udi-0900000000-51dd8cb602ed71d15a99	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0900000000-90cae1f633954557f0b9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-476651b63fbdbf5be935	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udj-9600000000-40c6e2f784462d3dce61	Spectrum

Toxicity Profile

Route of Exposure

Oral (4) ; inhalation (4)

Mechanism of Toxicity

Nitrate's toxicity is a result of it's conversion to nitrite once in the body. Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (1, 5)

Metabolism

Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (4)

Toxicity Values

LD50: 1901 mg/kg (Oral, Rabbit) (7)

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (2)

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Nitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (4)

Symptoms

Nitrate and nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (4)

Treatment

Methemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state. (5)

Concentrations

Not Available

External Links

DrugBank ID

DB11090

HMDB ID

HMDB0303531

FooDB ID

FDB015409

Phenol Explorer ID

Not Available

KNApSAcK ID