ContaminantDB: Pyridinium dichromate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (5)XML

Record Information

Version

1.0

Creation Date

2009-03-26 20:49:41 UTC

Update Date

2026-04-05 19:15:11 UTC

Accession Number

CHEM000635

Identification

Common Name

Pyridinium dichromate

Class

Small Molecule

Description

Pyridinium dichromate is a chemical compound of pyridinium and hexavalent chromium. It is used as an oxidizing agent. Hexavalent chromium refers to chemical compounds that contain the element chromium in the +6 oxidation state. Chromium(VI) is more toxic than other oxidation states of the chromium atom because of its greater ability to enter cells and higher redox potential. (6, 7)

Contaminant Sources

IARC Carcinogens Group 1
T3DB toxins

Contaminant Type

Chromium Compound
Industrial/Workplace Toxin
Inorganic Compound
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Bis(-chromium(1+) ion) bis(pyridine) pentahydric acid dihydroxide	Generator
Bis(λ¹-chromium(1+) ion) bis(pyridine) pentahydric acid dihydroxide	Generator

Chemical Formula

C₁₀H₂₂Cr₂N₂O₇

Average Molecular Mass

386.285 g/mol

Monoisotopic Mass

386.024 g/mol

CAS Registry Number

20039-37-6

IUPAC Name

bis(λ¹-chromium(1+) ion) bis(pyridine) pentahydrate dihydroxide

Traditional Name

bis(λ¹-chromium(1+) ion) bis(pyridine) pentahydrate dihydroxide

SMILES

O.O.O.O.O.[OH-].[OH-].[Cr+].[Cr+].C1=CC=NC=C1.C1=CC=NC=C1

InChI Identifier

InChI=1S/2C5H5N.2Cr.7H2O/c2*1-2-4-6-5-3-1;;;;;;;;;/h2*1-5H;;;7*1H2/q;;2*+1;;;;;;;/p-2

InChI Key

ITJAFWLJSNBVNO-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Not Available

Direct Parent

Pyridines and derivatives

Alternative Parents

Substituents

Pyridine
Heteroaromatic compound
Azacycle
Organic transition metal salt
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organonitrogen compound
Organic hydroxide
Aromatic heteromonocyclic compound

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

White powder.

Experimental Properties

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

Predicted Properties

Property	Value	Source
Water Solubility	242 g/L	ALOGPS
logP	0.7	ALOGPS
logP	0.76	ChemAxon
logS	0.49	ALOGPS
pKa (Strongest Basic)	5.12	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	12.89 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	23.9 m³·mol⁻¹	ChemAxon
Polarizability	8.25 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Route of Exposure

Inhalation (6) ; oral (6) ; dermal (6)

Mechanism of Toxicity

Hexavalent chromium's carcinogenic effects are caused by its metabolites, pentavalent and trivalent chromium. The DNA damage may be caused by hydroxyl radicals produced during reoxidation of pentavalent chromium by hydrogen peroxide molecules present in the cell. Trivalent chromium may also form complexes with peptides, proteins, and DNA, resulting in DNA-protein crosslinks, DNA strand breaks, DNA-DNA interstrand crosslinks, chromium-DNA adducts, chromosomal aberrations and alterations in cellular signaling pathways. It has been shown to induce carcinogenesis by overstimulating cellular regulatory pathways and increasing peroxide levels by activating certain mitogen-activated protein kinases. It can also cause transcriptional repression by cross-linking histone deacetylase 1-DNA methyltransferase 1 complexes to CYP1A1 promoter chromatin, inhibiting histone modification. Chromium may increase its own toxicity by modifying metal regulatory transcription factor 1, causing the inhibition of zinc-induced metallothionein transcription. (1, 6, 2, 3, 4)

Metabolism

Chromium is absorbed from oral, inhalation, or dermal exposure and distributes to nearly all tissues, with the highest concentrations found in kidney and liver. Bone is also a major storage site and may contribute to long-term retention. Hexavalent chromium's similarity to sulfate and chromate allow it to be transported into cells via sulfate transport mechanisms. Inside the cell, hexavalent chromium is reduced first to pentavalent chromium, then to trivalent chromium by many substances including ascorbate, glutathione, and nicotinamide adenine dinucleotide. Chromium is almost entirely excreted with the urine. (1, 6)

Toxicity Values

Not Available

Lethal Dose

1 to 3 grams for an adult human (hexavalent chromium). (5)

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (9)

Uses/Sources

Pyridinium dichromate is used as an oxidizing agent. (7)

Minimum Risk Level

Intermediate Oral: 0.005 mg/kg/day (8) Chronic Oral: 0.001 mg/kg/day (8)

Health Effects

Hexavalent chromium is a known carcinogen. Chronic inhalation especially has been linked to lung cancer. Hexavalent chromium has also been know to cause reproductive and developmental defects. (1)

Symptoms

Breathing hexavalent chromium can cause irritation to the lining of the nose, nose ulcers, runny nose, and breathing problems, such as asthma, cough, shortness of breath, or wheezing. Ingestion of hexavalent chromium causes irritation and ulcers in the stomach and small intestine, as well as anemia. Skin contact can cause skin ulcers. (6)

Treatment

There is no know antidote for chromium poisoning. Exposure is usually handled with symptomatic treatment. (6)

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

Not Available

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

Pyridinium dichromate (CHEM000635)

Structure for CHEM000635: Pyridinium dichromate