ContaminantDB: Ammonium nitrite

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (9)XML

Record Information

Version

1.0

Creation Date

2009-08-05 14:19:15 UTC

Update Date

2026-04-05 21:31:45 UTC

Accession Number

CHEM002538

Identification

Common Name

Ammonium nitrite

Class

Small Molecule

Description

Ammonium nitrite is a chemical compound of ammonium and nitrite ions. It is used as a rodenticide, microbiocide and agricultural pesticide, and is acutely toxic to both humans and aquatic organisms. Nitrite is a toxic compound known to cause methemoglobinemia. (3, 5)

Contaminant Sources

T3DB toxins

Contaminant Type

Inorganic Compound
Nitrite
Non-Metal
Pesticide
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

H₄N₂O₂

Average Molecular Mass

64.044 g/mol

Monoisotopic Mass

64.027 g/mol

CAS Registry Number

13446-48-5

IUPAC Name

ammonium nitrite

Traditional Name

ammonium nitrite

SMILES

[NH4+].[O-]N=O

InChI Identifier

InChI=1S/HNO2.H3N/c2-1-3;/h(H,2,3);1H3

InChI Key

CAMXVZOXBADHNJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as non-metal nitrites. These are inorganic non-metallic compounds containing a nitrite as its largest oxoanion.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal nitrites

Direct Parent

Non-metal nitrites

Alternative Parents

Substituents

Non-metal nitrite
Inorganic nitrite
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

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

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

Colorless crystals.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	0.17	ChemAxon
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.49 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	7.6 m³·mol⁻¹	ChemAxon
Polarizability	2.44 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 LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9000000000-9ac657a65646bd2fa55b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9000000000-9ac657a65646bd2fa55b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-9ac657a65646bd2fa55b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-d0075424f461f1211a61	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-d0075424f461f1211a61	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-9000000000-d0075424f461f1211a61	Spectrum

Toxicity Profile

Route of Exposure

Oral (3) ;inhalation (3)

Mechanism of Toxicity

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, 4)

Metabolism

Nitrites and their metabolites are excreted in the urine. (3)

Toxicity Values

Not Available

Lethal Dose

10 to 100 mg/kg for an adult human. (6)

Carcinogenicity (IARC Classification)

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

Uses/Sources

Ammonium nitrite is used as a rodenticide, microbiocide and agricultural pesticide. (5)

Minimum Risk Level

Not Available

Health Effects

Nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (3)

Symptoms

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. (3)

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. (4)

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Ammonium nitrite

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

26004

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Ammonium nitrite (CHEM002538)

Structure for CHEM002538: Ammonium nitrite