Showing Compound Cobaltous chloride (FDB014377)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:14 UTC

Update date

2015-10-09 22:33:45 UTC

Primary ID

FDB014377

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Cobaltous chloride

Description

Cobaltous chloride, also known as cobalt muriate or COCL2, belongs to the class of inorganic compounds known as transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal. Cobaltous chloride is an extremely strong acidic compound (based on its pKa). Cobaltous chloride is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound.

CAS Number

7646-79-9

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Cobalt chloride	ChEBI
Cobalt muriate	ChEBI
Cobaltous chloride anhydrous	ChEBI
Cobaltous dichloride	ChEBI
CoCl2	ChEBI
Dichlorocobalt	ChEBI
Kobalt chlorid	ChEBI
Kobalt(II)-chlorid	ChEBI
Kobaltdichlorid	ChEBI
Cobalt muriic acid	Generator
Cobalt dichloride	MeSH
CoCl(2)	MeSH
Cobalt(II)chloride	MeSH
Cobalt chloride (CoCl2)	biospider
Cobalt chloride (ous)	biospider
Cobalt chloride?	db_source
Cobalt(2+) chloride	biospider
cobalt(2+) dichloride	biospider
Cobalt(II) chloride	biospider
Cobaltous chloride	db_source
Cobaltous Chloride Co 57	biospider
Cobaltous chloride, anhydrous	biospider
Cobatope-57	db_source
Cobatope-60	db_source
Kobalt chlorid (german)	biospider

Predicted Properties

Property	Value	Source
Water Solubility	35.3 g/L	ALOGPS
logP	0.95	ALOGPS
logP	0.61	ChemAxon
logS	-0.57	ALOGPS
pKa (Strongest Acidic)	-7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	5.62 m³·mol⁻¹	ChemAxon
Polarizability	2.39 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

Cl2Co

IUPAC name

λ²-cobalt(2+) ion dichloride

InChI Identifier

InChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2

InChI Key

GVPFVAHMJGGAJG-UHFFFAOYSA-L

Isomeric SMILES

[Cl-].[Cl-].[Co++]

Average Molecular Weight

129.839

Monoisotopic Molecular Weight

128.870905608

Classification

Description

Belongs to the class of inorganic compounds known as transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Transition metal salts

Sub Class

Transition metal chlorides

Direct Parent

Transition metal chlorides

Alternative Parents

Inorganic chloride salts

Substituents

Transition metal chloride
Inorganic chloride salt
Inorganic salt

Molecular Framework

Not Available

External Descriptors

copper salt (CHEBI:35696 )
inorganic chloride (CHEBI:35696 )

Ontology

Physiological effect

Health effect:

Health condition:

Gastrointestinal disorders:

Observation:

Liver damage

Ingestion

Source:

Food

Process

Naturally occurring process:

Biological process:

Biochemical pathway:

Asthma

Role

Indirect biological role:

Allergen

Industrial application:

Food and nutrition

Biological role:

Nutrient

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Cl 54.61%; Co 45.39%	DFC
Melting Point	Mp 735°	DFC
Boiling Point	Bp 1049°	DFC
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0900000000-d4f18511ec47f37c9503	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-0900000000-d4f18511ec47f37c9503	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-0900000000-d4f18511ec47f37c9503	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0900000000-3dfe860fe2ed5692f457	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-0900000000-3dfe860fe2ed5692f457	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-0900000000-3dfe860fe2ed5692f457	2016-08-03	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

3032536

Pubchem Substance ID

Not Available

ChEBI ID

35696

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB35661

CRC / DFC (Dictionary of Food Compounds) ID

JPW94-E:JPW94-E

EAFUS ID

724

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Cobaltous chloride (FDB014377)

Structure for FDB014377 (Cobaltous chloride)