ContaminantDB: Thallium chloride TlCl

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

Record Information

Version

1.0

Creation Date

2016-05-19 01:45:55 UTC

Update Date

2016-11-09 01:09:21 UTC

Accession Number

CHEM004461

Identification

Common Name

Thallium chloride TlCl

Class

Small Molecule

Description

Contaminant Sources

Clean Air Act Chemicals
HMDB Contaminants - Urine
HPV EPA Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[TLCL]	ChEBI
Thallium chloride	ChEBI
Thallous chloride	ChEBI
TLCL	ChEBI
81TL	HMDB
Talio	HMDB
Thallous chloride TL 201	HMDB
Tl	HMDB
Thallium chloride, (201)TL-labeled	HMDB
Thallium chloride, (203)TL,(35)CL-labeled	HMDB
Thallium chloride, (205)TL,(35)CL-labeled	HMDB
Thallium monochloride	HMDB
Thallium chloride, (205)TL,(37)CL-labeled	HMDB
Thallium chloride, (203)TL,(37)CL-labeled	HMDB

Chemical Formula

ClTl

Average Molecular Mass

239.836 g/mol

Monoisotopic Mass

239.943 g/mol

CAS Registry Number

7791-12-0

IUPAC Name

chlorothallane

Traditional Name

thallous chloride

SMILES

[Cl-].[Tl+]

InChI Identifier

InChI=1S/ClH.Tl/h1H;/q;+1/p-1

InChI Key

GBECUEIQVRDUKB-UHFFFAOYSA-M

Chemical Taxonomy

Description

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

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Post-transition metal salts

Sub Class

Post-transition metal chlorides

Direct Parent

Post-transition metal chlorides

Alternative Parents

Inorganic chloride salts

Substituents

Post-transition metal chloride
Inorganic chloride salt
Inorganic salt

Molecular Framework

Not Available

External Descriptors

inorganic chloride (CHEBI:37117 )
thallium molecular entity (CHEBI:37117 )

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
Water Solubility	123 g/L	ALOGPS
logP	-0.55	ALOGPS
logP	0.53	ChemAxon
logS	-0.29	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	6.14 m³·mol⁻¹	ChemAxon
Polarizability	4.35 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

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-0090000000-9137aecf784ddee36f62	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0090000000-16a4cb30e5946cdb2eda	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0090000000-16a4cb30e5946cdb2eda	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-0090000000-16a4cb30e5946cdb2eda	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0090000000-89708d5af246693b1621	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0090000000-89708d5af246693b1621	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-0090000000-89708d5af246693b1621	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0090000000-7f59adc064ffa4550e4a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0090000000-7f59adc064ffa4550e4a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-0090000000-7f59adc064ffa4550e4a	Spectrum

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

DB09316

HMDB ID

HMDB0013724

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

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

1. Z. Dobrzañski et al. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Polish Journal of Environmental Studies Vol. 14, No 5 (2005), 685-689

2. A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation)

Thallium chloride TlCl (CHEM004461)

Structure for CHEM004461: Thallium chloride TlCl