ContaminantDB: Ceric ammonium nitrate

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 16:49:44 UTC

Update Date

2026-04-06 07:50:34 UTC

Accession Number

CHEM002545

Identification

Common Name

Ceric ammonium nitrate

Class

Small Molecule

Description

Ceric ammonium nitrate is a inorganic compound of nitrate and ammonium. It is used as an oxidising agent in organic synthesis. Nitrite is a toxic compound known to cause methemoglobinemia. (3, 5)

Contaminant Sources

HPV EPA Chemicals
T3DB toxins

Contaminant Type

Indicator and Reagent
Industrial/Workplace Toxin
Inorganic Compound
Nitrate
Nitrite
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ceric ammonium nitric acid	Generator

Chemical Formula

CeH₈N₈O₁₈

Average Molecular Mass

548.222 g/mol

Monoisotopic Mass

547.901 g/mol

CAS Registry Number

16774-21-3

IUPAC Name

λ⁴-cerium(4+) ion bis(nitric acid) diamine tetranitrate

Traditional Name

λ⁴-cerium(4+) ion bis(nitric acid) diamine tetranitrate

SMILES

N.N.[Ce+4].O[N+]([O-])=O.O[N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O

InChI Identifier

InChI=1S/Ce.2HNO3.4NO3.2H3N/c;6*2-1(3)4;;/h;2*(H,2,3,4);;;;;2*1H3/q+4;;;4*-1;;

InChI Key

WIBGOERAEYJBOT-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Lanthanide oxoanionic compounds

Sub Class

Lanthanide nitrates

Direct Parent

Lanthanide nitrates

Alternative Parents

Substituents

Lanthanide nitrate
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

Orange/red crystals.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
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	1	ChemAxon
Polar Surface Area	66.05 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	10.47 m³·mol⁻¹	ChemAxon
Polarizability	3.55 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Route of Exposure

Oral (3) ; inhalation (3)

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, 4)

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. (3)

Toxicity Values

Not Available

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. (3)

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. (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

Ceric ammonium nitrate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

16211559

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

Ceric ammonium nitrate (CHEM002545)

Structure for CHEM002545: Ceric ammonium nitrate