Sodium nitrate (CED0002948)

Record Information

Version

1.0

Creation Date

2009-08-05 17:37:18 UTC

Update Date

2026-05-14 19:53:52 UTC

Accession Number

CHEM002559

Identification

Common Name

Sodium nitrate

Class

Small Molecule

Description

Sodium nitrate (NNaO3) is an inorganic compound with an average molecular weight of 84.99 g/mol. It is a solid at room temperature and is exogenous in origin. Sodium nitrate belongs to the alkali metal nitrates, a subclass of alkali metal oxoanionic compounds within the inorganic compounds. The compound serves numerous industrial and biological roles. It is used as a fertilizer, preservative, corrosion inhibitor, bleaching agent, humectant, flavouring and nutrient, and as a soil amendment. Additionally, it functions as a degradant/impurity, oxidizing agent, biocide, dye, and chelating agent. It is utilized as a non-motive propellant (blowing agent) and an industrial additive (PMC9173806), as well as an industrial reducing agent (PMC8519076). Environmentally, it acts as a nutrient (PMC12655362), and biologically, it serves as an electron acceptor (PMC11366258, PMC13300293). Sodium nitrate is found in or released from 30 recorded sources, including food processing for meats, fish, and vinegar; household cleaning and consumer products such as bleaching agents and smoking requisites; building and construction materials like tents, canopies, and ceilings; and electrical and electronic equipment including amplifiers, antennas, and communication cables. Regarding health effects, sodium nitrate is used as a treatment for botulism (PMC8467560) and is associated with colorectal cancer (PMC10301060). Recorded protein targets include Hemoglobin subunit alpha (HBA1), Hemoglobin subunit beta (HBB), Carbonic anhydrase 1 (CA1), and Carbonic anhydrase 2 (CA2).

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
Cubic niter	ChEBI
Niter	ChEBI
Nitrate de sodium	ChEBI
Nitrate OF soda	ChEBI
Nitric acid monosodium salt	ChEBI
Nitric acid sodium salt (1:1)	ChEBI
Nitric acid, sodium salt	ChEBI
Sodium saltpeter	ChEBI
Sodium(I) nitrate (1:1)	ChEBI
Nitric acid de sodium	Generator
Nitric acid OF soda	Generator
Nitrate monosodium salt	Generator
Nitrate sodium salt (1:1)	Generator
Nitrate, sodium salt	Generator
Sodium(I) nitric acid (1:1)	Generator
Sodium nitric acid	Generator
Sodium nitric acid (nano3)	Generator

Chemical Formula

NNaO₃

Average Molecular Mass

84.995 g/mol

Monoisotopic Mass

84.978 g/mol

CAS Registry Number

7631-99-4

IUPAC Name

sodium nitrate

Traditional Name

sodium nitrate

SMILES

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

InChI Identifier

InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1

InChI Key

VWDWKYIASSYTQR-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 sodium salt
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

inorganic sodium salt (CHEBI:63005 )
inorganic nitrate salt (CHEBI:63005 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

fertilizer

Biological Roles

electron acceptor

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	306.8°C
Boiling Point	Not Available
Solubility	730 mg/mL at 0°C [SHIU,WY et al. (1990)]

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	Yes	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	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-faf1f373748af1e837f2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-8743c260667878107089	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000j-9000000000-0638dac105948d86af98	Not Available	View Spectrum

Toxicity Profile

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)

Carcinogenicity (IARC Classification)

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

Minimum Risk Level

Not Available

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)

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1267.0	mg/kg	Not Available	Rat	LD50	Oral	experimental	T13
175.0	mg/kg	Not Available	Rat	LD50	Intravenous	experimental	T13

Health Effects

Health Effect	Relationship	Direction	Reference
colorectal cancer	associated_with	Not Available	PMC10301060
botulism	is_treatment_for	Not Available	PMC8467560

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
495	Ceilings	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
528	Microphones	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
554	Ash Trays	Household cleaning & consumer products	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
568	Tobacco Product Moisture Control	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
635	Buttons	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
639	Degreasing Leather	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
651	Purses Money Bags Wallets	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	28.2593
Click to view 3D structure	Catechol O-methyltransferase	Q99028	Sus scrofa	Predicted (SEA)	38.0683
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	6689.58
Click to view 3D structure	Thioredoxin reductase	P61076	Plasmodium falciparum 3D7	Predicted (SEA)	63.3693
Click to view 3D structure	Putative nitroreductase	Q4A0P1	Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)	Predicted (SEA)	114.283
Click to view 3D structure	Arylsulfatase	P51691	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	197.893
Click to view 3D structure	Catechol O-methyltransferase	P22734	Rattus norvegicus	Predicted (SEA)	523.614
Click to view 3D structure	Intestinal-type alkaline phosphatase	P24822	Mus musculus	Predicted (SEA)	4407.67
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	7124.84
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7363.37
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	7494.39
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	7274.7
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	7399.18
Click to view 3D structure	Modulator of drug activity A	Q8X6S1	Escherichia coli O157:H7	Predicted (SEA)	212.451
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7597.31
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7548.42
Click to view 3D structure	Carboxylesterase	B3TNN2	Loxostege sticticalis	Predicted (SEA)	203.42
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	7556.75
Click to view 3D structure	Caspase-3	P42574	Humans	Predicted (SEA)	7458.58
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	7419.34
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	7622.84
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	6975.37
Click to view 3D structure	Cystathionine beta-lyase MetC	P06721	Escherichia coli K-12	Predicted (SEA)	1157.46
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	7345.85
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	7757.36
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Known	Not Available
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Known	Not Available
Click to view 3D structure	Hemoglobin subunit alpha	P69905	Humans	Known	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. (A2450, L1613)
Click to view 3D structure	Hemoglobin subunit beta	P68871	Humans	Known	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. (A2450, L1613)