Sodium nitrate (CHEM002559)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (11)XML
Record Information
Version1.0
Creation Date2009-08-05 17:37:18 UTC
Update Date2026-05-14 19:53:52 UTC
Accession NumberCHEM002559
Identification
Common NameSodium nitrate
ClassSmall Molecule
DescriptionSodium nitrate is a nitrate of sodium. It is used as an ingredient in fertilizers, pyrotechnics, as a food preservative, and as a solid rocket propellant, and also in glass and pottery enamels. 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
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Cubic niterChEBI
NiterChEBI
Nitrate de sodiumChEBI
Nitrate OF sodaChEBI
Nitric acid monosodium saltChEBI
Nitric acid sodium salt (1:1)ChEBI
Nitric acid, sodium saltChEBI
Sodium saltpeterChEBI
Sodium(I) nitrate (1:1)ChEBI
Nitric acid de sodiumGenerator
Nitric acid OF sodaGenerator
Nitrate monosodium saltGenerator
Nitrate sodium salt (1:1)Generator
Nitrate, sodium saltGenerator
Sodium(I) nitric acid (1:1)Generator
Sodium nitric acidGenerator
Sodium nitric acid (nano3)Generator
Chemical FormulaNNaO3
Average Molecular Mass84.995 g/mol
Monoisotopic Mass84.978 g/mol
CAS Registry Number7631-99-4
IUPAC Namesodium nitrate
Traditional Namesodium nitrate
SMILES[Na+].[O-][N+]([O-])=O
InChI IdentifierInChI=1S/NO3.Na/c2-1(3)4;/q-1;+1
InChI KeyVWDWKYIASSYTQR-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.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal nitrates
Direct ParentAlkali metal nitrates
Alternative Parents
Substituents
  • Alkali metal nitrate
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
Applications
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point306.8°C
Boiling PointNot Available
Solubility730 mg/mL at 0°C [SHIU,WY et al. (1990)]
Predicted Properties
PropertyValueSource
logP0.028ChemAxon
pKa (Strongest Acidic)-1.4ChemAxon
pKa (Strongest Basic)-6.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area68.88 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.85 m³·mol⁻¹ChemAxon
Polarizability3.24 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-faf1f373748af1e837f2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-8743c260667878107089Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000j-9000000000-0638dac105948d86af98Spectrum
Toxicity Profile
Route of ExposureOral (4) ; inhalation (4)
Mechanism of ToxicityNitrate'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)
MetabolismIntake 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 ValuesLD50: 1267 mg/kg (Oral, Rat) (7) LD50: 175 mg/kg (Intravenous, Rat) (7)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (2)
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (4)
SymptomsNitrate 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)
TreatmentMethemoglobinemia 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
DrugBank IDNot Available
HMDB IDHMDB0303521
FooDB IDFDB015397
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium_nitrate
Chemspider ID22688
ChEBI ID63005
PubChem Compound ID24268
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available