ContaminantDB: Nickel formate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (68)XML

Record Information

Version

1.0

Creation Date

2009-06-19 21:58:45 UTC

Update Date

2026-04-05 19:38:30 UTC

Accession Number

CHEM001213

Identification

Common Name

Nickel formate

Class

Small Molecule

Description

Nickel formate is a chemical compound of nickel. Nickel is a chemical compound with the atomic number 28. It is found abundantly in nature in laterite ore minerals, such as limonite, garnierite, and pentlandite. Nickel has a biological role and is found in certain enzymes, including urease, hydrogenase, methylcoenzyme M reductase, and carbon monoxide dehydrogenase. (2, 3)

Contaminant Sources

IARC Carcinogens Group 1
T3DB toxins

Contaminant Type

Industrial/Workplace Toxin
Nickel Compound
Organic Compound
Organometallic
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Nickel formic acid	Generator
Calcium formate	MeSH
Formate	MeSH
Formic acid, ammonium (2:1) salt	MeSH
Formic acid, calcium salt	MeSH
Formic acid, cesium salt	MeSH
Formic acid, copper salt	MeSH
Formic acid, cromium (+3) salt	MeSH
Formic acid, nickel (+2) salt	MeSH
Formic acid, rubidium salt	MeSH
Formic acid, thallium (+1) salt	MeSH
Lithium formate	MeSH
Methanoic acid	MeSH
Formic acid, 14C-labeled	MeSH
Formic acid, cobalt (+2) salt	MeSH
Formic acid, copper, ammonium salt	MeSH
Formic acid, sodium salt	MeSH
Formic acid, sodium salt, 14C-labeled	MeSH
Formic acid, zinc salt	MeSH
Formic acid	MeSH
Formic acid, aluminum salt	MeSH
Formic acid, cadmium salt	MeSH
Formic acid, copper, nickel salt	MeSH
Formic acid, cromium (+3), sodium (4:1:1) salt	MeSH
Formic acid, lithium salt	MeSH
Formic acid, magnesium salt	MeSH
Formic acid, sodium salt, 13C-labeled	MeSH
Sodium formate	MeSH
Ammonium formate	MeSH
Ammonium tetraformate	MeSH
Cobalt(II) formate dihydrate	MeSH
Formic acid, ammonium (4:1) salt	MeSH
Formic acid, ammonium salt	MeSH
Formic acid, copper (+2) salt	MeSH
Formic acid, lead (+2) salt	MeSH
Formic acid, lead salt	MeSH
Formic acid, nickel salt	MeSH
Formic acid, potassium salt	MeSH
Formic acid, strontium salt	MeSH
Mafusol	MeSH
Nickel formate dihydrate	MeSH
Cupric formate	MeSH
Magnesium formate	MeSH
Zinc formate	MeSH
Aluminum formate	MeSH
Cobaltous formate	MeSH
Chromic formate	MeSH
Lead formate	MeSH
Potassium formate	MeSH
Strontium formate	MeSH

Chemical Formula

C₂H₂NiO₄

Average Molecular Mass

148.728 g/mol

Monoisotopic Mass

147.931 g/mol

CAS Registry Number

15843-02-4

IUPAC Name

(formyloxy)nickelio formate

Traditional Name

nickel formate

SMILES

O=CO[Ni]OC=O

InChI Identifier

InChI=1S/2CH2O2.Ni/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2

InChI Key

HZPNKQREYVVATQ-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Carboxylic acid salts

Alternative Parents

Substituents

Carboxylic acid salt
Organic transition metal salt
Monocarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic 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	318 g/L	ALOGPS
logP	-0.1	ALOGPS
logP	-1.1	ChemAxon
logS	0.33	ALOGPS
pKa (Strongest Basic)	-6.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	14.45 m³·mol⁻¹	ChemAxon
Polarizability	8.24 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	splash10-0002-0900000000-e4b5c0ec3e5da7390c43	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0f6t-0900000000-92b619e817e3c36b40ad	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00kg-9300000000-8d2b0ed04732f929be0b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00kb-0900000000-d877998ff8d099c9a0c5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-2900000000-b1baf38bc6d07655d260	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9400000000-80556d0a85258a531f87	Spectrum

Toxicity Profile

Route of Exposure

Oral (3) ; inhalation (3) ; dermal (3)

Mechanism of Toxicity

Nickel is known to substitute for other essential elements in certain enzmes, such as calcineurin. It is genotoxic, and some nickel compounds have been shown to promote cell proliferation. Nickel has a high affinity for chromatin proteins, particularly histones and protamines. The complexing of nickel ions with heterochromatin results in a number of alterations including condensation, DNA hypermethylation, gene silencing, and inhibition of histone acetylation, which have been shown to disturb gene expression. Nickel has also been shown to alter several transcription factors, including hypoxia-inducible transcription factor, activating transcription factor, and NF-KB transcription factor. There is also evidence that nickel ions inhibit DNA repair, either by directly inhibiting DNA repair enzymes or competing with zinc ions for binding to zinc-finger DNA binding proteins, resulting in structural changes in DNA that prevent repair enzymes from binding. Nickel ions can also complex with a number of cellular ligands including amino acids, peptides, and proteins resulting in the generation of oxygen radicals, which induce base damage, DNA strand breaks, and DNA protein crosslinks. (3, 1)

Metabolism

Nickel is absorbed mainly through the lungs and gastrointestinal tract. Once in the body it enters the bloodstream, where it binds to albumin, L-histidine, and _2-macroglobulin. Nickel tends to accumulate in the lungs, thyroid, kidney, heart, and liver. Absorbed nickel is excreted in the urine, wherease unabsorbed nickel is excreted in the faeces. (3)

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (6)

Uses/Sources

Not Available

Minimum Risk Level

Intermediate Inhalation: 0.0002 mg/m3 (5) Chronic Inhalation: 0.00009 mg/m3 (5)

Health Effects

The most common harmful health effect of nickel in humans is an allergic reaction. This usually manifests as a skin rash, although some people experience asthma attacks. Long term inhahation of nickel causes chronic bronchitis and reduced lung function, as well as damage to the naval cavity. Ingestion of excess nickel results in damage to the stomach, blood, liver, kidneys, and immune system, as well as having adverse effects on reproduction and development. (3)

Symptoms

Symptoms of nickel poisoning include headache, nausea, vomiting, dizziness, irritability, and difficulty sleeping, followed by chest pains, sweating, rapid heart beat, and a dry cough. (4)

Treatment

Excess exposure to nickel is usually handled by preventing further exposure and symptomatic treatment. Nickel poisoning may also be treated using chelation therapy with sodium diethyldithiocarbamate. (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

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

27506

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

Nickel formate (CHEM001213)

Structure for CHEM001213: Nickel formate