ContaminantDB: Cadmium phosphate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (19)XML

Record Information

Version

1.0

Creation Date

2009-03-06 18:58:40 UTC

Update Date

2026-04-05 22:05:32 UTC

Accession Number

CHEM000325

Identification

Common Name

Cadmium phosphate

Class

Small Molecule

Description

Cadmium phosphate is a chemical compound of cadmium. Cadmium is a transition metal and chemical element with the symbol Cd and atomic number 48. It is found naturally in the earth's crust, though rarely on it's own. (4)

Contaminant Sources

IARC Carcinogens Group 1
T3DB toxins

Contaminant Type

Amine
Cadmium Compound
Industrial/Workplace Toxin
Inorganic Compound
Organic Compound
Organochloride
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Cadmium phosphoric acid	Generator

Chemical Formula

Cd₃O₈P₂

Average Molecular Mass

527.176 g/mol

Monoisotopic Mass

531.617 g/mol

CAS Registry Number

13477-17-3

IUPAC Name

tricadmium(2+) ion diphosphate

Traditional Name

tricadmium(2+) ion diphosphate

SMILES

[Cd++].[Cd++].[Cd++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O

InChI Identifier

InChI=1S/3Cd.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6

InChI Key

NRGIRRZWCDKDMV-UHFFFAOYSA-H

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as transition metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is a transition metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Transition metal oxoanionic compounds

Sub Class

Transition metal phosphates

Direct Parent

Transition metal phosphates

Alternative Parents

Substituents

Transition metal phosphate
Inorganic cadmium salt
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Membrane

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

No data.

Experimental Properties

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

Predicted Properties

Property	Value	Source
Water Solubility	40 g/L	ALOGPS
logP	0.2	ALOGPS
logP	-1	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	86.25 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	11.29 m³·mol⁻¹	ChemAxon
Polarizability	4.93 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

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-0000090000-d5a610616adc78957b6d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0000090000-d5a610616adc78957b6d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-0000090000-d5a610616adc78957b6d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0000090000-31186f25066b2b190d43	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-0000090000-31186f25066b2b190d43	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-0000090000-31186f25066b2b190d43	Spectrum

Toxicity Profile

Route of Exposure

Oral (4) ; inhalation (4) ; dermal (4)

Mechanism of Toxicity

Cadmium initially binds to metallothionein and is transported to the kidney. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Accumulation of cadmium in the kidney results in increased excretion of vital low and high weight molecular proteins. Cadmium is a high affinity zinc analog and can interfere in its biological processes. It also binds to and activates the estrogen receptor, likely stimulating the growth of certain types of cancer cells and causing other estrogenic effects, such as reproductive dysfunction. Cadmium causes cell apoptosis by activating mitogen-activated protein kinases. (5, 1, 2, 3)

Metabolism

Cadmium is absorbed from oral, inhalation, and dermal routes. Cadmium initially binds to metallothionein and albumin and is transported mainly to the kidney and liver. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Cadmium is not known to undergo any direct metabolic conversion and is excreted unchanged, mainly in the urine. (4)

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (8)

Uses/Sources

Cadmium phosphate can be used as soil fertilizer (10).

Minimum Risk Level

Acute Inhalation: 0.00003 mg/m3 (7) Chronic Inhalation: 0.00001 mg/m3 (7) Intermediate Oral: 0.0005 mg/kg/day (7) Chronic Oral: 0.0001 mg/kg/day (7)

Health Effects

Chronic exposure to cadmium fumes can cause chemical pneumonitis, pulmonary edema, and lung diseases such as bronchitis and emphysema. Cadmium also accumulates in the kidneys, causing permanent damage. Loss of bone density also occurs. (4)

Symptoms

Acute inhalation of cadmium fumes results in metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Ingestion of cadmium causes vomiting and diarrhea. (4)

Treatment

Cadmium poisoning is treated by removal from exposure and supportive care. If ingested, induced vomiting or gastric lavage may be performed. (9)

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

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

26060

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

Cadmium phosphate (CHEM000325)

Structure for CHEM000325: Cadmium phosphate