ContaminantDB: CALCIUM CHLORIDE

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:56:31 UTC

Update Date

2016-11-09 01:09:27 UTC

Accession Number

CHEM004943

Identification

Common Name

CALCIUM CHLORIDE

Class

Small Molecule

Description

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
OECD HPV Chemicals
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[CaCl2]	ChEBI
CaCl2	ChEBI
Calcium chloride anhydrous	ChEBI
Calcium chloride dihydrate	MeSH
Calcium chloride, anhydrous	MeSH
Chloride, calcium	MeSH
Dihydrate, calcium chloride	MeSH
Chloride dihydrate, calcium	MeSH

Chemical Formula

CaCl₂

Average Molecular Mass

110.984 g/mol

Monoisotopic Mass

109.900 g/mol

CAS Registry Number

10035-04-8

IUPAC Name

calcium dichloride

Traditional Name

calcium dichloride

SMILES

[Cl-].[Cl-].[Ca++]

InChI Identifier

InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2

InChI Key

UXVMQQNJUSDDNG-UHFFFAOYSA-L

Chemical Taxonomy

Description

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

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkaline earth metal salts

Sub Class

Alkaline earth metal chlorides

Direct Parent

Alkaline earth metal chlorides

Alternative Parents

Substituents

Alkaline earth metal chloride
Inorganic calcium salt
Inorganic chloride salt
Inorganic salt

Molecular Framework

Not Available

External Descriptors

inorganic chloride (CHEBI:3312 )
calcium salt (CHEBI:3312 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

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

Not Available

Appearance

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	-0.57	ChemAxon
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	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	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

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB01164

HMDB ID

HMDB0303526

FooDB ID

FDB015404

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

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

CALCIUM CHLORIDE (CHEM004943)

Structure for CHEM004943: CALCIUM CHLORIDE