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Lanthanum chloride heptahydrate

PubChem CID
165791
Structure
Lanthanum chloride heptahydrate_small.png
Molecular Formula
Synonyms
  • Lanthanum chloride heptahydrate
  • Lanthanum chloride (LaCl3), heptahydrate
  • lanthanum(3+);trichloride;heptahydrate
  • 936G1MX96X
  • UNII-936G1MX96X
Molecular Weight
371.37 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-08-08
  • Modify:
    2024-12-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Lanthanum chloride heptahydrate.png

1.2 3D Status

Conformer generation is disallowed since MMFF94s unsupported element, MMFF94s unsupported atom valence, mixture or salt

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

lanthanum(3+);trichloride;heptahydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/3ClH.La.7H2O/h3*1H;;7*1H2/q;;;+3;;;;;;;/p-3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

FDFPDGIMPRFRJP-UHFFFAOYSA-K
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[La+3]
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)

2.2 Molecular Formula

Cl3La.7H2O
Cl3H14LaO7
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

10025-84-0

2.3.3 UNII

2.3.4 DSSTox Substance ID

2.3.5 Wikidata

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • lanthanum chloride
  • lanthanum chloride, 140La-labeled
  • lanthanum chloride, 141La-labeled
  • lanthanum chloride, heptahydrate
  • lanthanum chloride, hexahydrate
  • lanthanum chloride, monohydrate
  • lanthanum chloride, trihydrate

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
371.37 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
369.886874 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
369.886874 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
7Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
11
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

5 Chemical Vendors

6 Safety and Hazards

6.1 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: Lanthanum chloride (LaCl3), heptahydrate
New Zealand EPA Inventory of Chemical Status
Lanthanum chloride heptahydrate: Does not have an individual approval but may be used under an appropriate group standard

7 Toxicity

7.1 Toxicological Information

7.1.1 RAIS Toxicity Values

Oral Chronic Reference Dose (RfDoc) (mg/kg-day)
1.87e-05
Oral Chronic Reference Dose Reference
PPRTV Current
Oral Subchronic Chronic Reference Dose (RfDos) (mg/kg-day)
1.87e-05
Oral Subchronic Chronic Reference Dose Reference
PPRTV Current

7.2 Ecological Information

7.2.1 US EPA Regional Screening Levels for Chemical Contaminants

Resident Soil (mg/kg)
1.50e+00
Industrial Soil (mg/kg)
2.20e+01
Tapwater (ug/L)
3.70e-01
MCL (ug/L)
5.00e+01
Chronic Oral Reference Dose (mg/kg-day)
1.87e-05
Volatile
Volatile
Mutagen
Mutagen
Fraction of Contaminant Absorbed in Gastrointestinal Tract
1

7.2.2 US EPA Regional Removal Management Levels for Chemical Contaminants

Resident Soil (mg/kg)
4.40e+00
Industrial Soil (mg/kg)
6.60e+01
Tapwater (ug/L)
1.10e+00
MCL (ug/L)
5.00e+01
Chronic Oral Reference Dose (mg/kg-day)
1.87e-05
Volatile
Volatile
Mutagen
Mutagen
Fraction of Contaminant Absorbed in Gastrointestinal Tract
1

8 Literature

8.1 Consolidated References

8.2 NLM Curated PubMed Citations

9 Patents

9.1 Depositor-Supplied Patent Identifiers

9.2 Chemical Co-Occurrences in Patents

9.3 Chemical-Disease Co-Occurrences in Patents

9.4 Chemical-Gene Co-Occurrences in Patents

10 Classification

10.1 MeSH Tree

10.2 ChemIDplus

10.3 EPA DSSTox Classification

10.4 EPA Substance Registry Services Tree

10.5 MolGenie Organic Chemistry Ontology

11 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
  2. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  3. EPA DSSTox
    Lanthanum chloride--water (1/3/7)
    https://comptox.epa.gov/dashboard/DTXSID90905297
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  4. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  5. New Zealand Environmental Protection Authority (EPA)
    LICENSE
    This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.
    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  6. Risk Assessment Information System (RAIS)
    LICENSE
    This work has been sponsored by the U.S. Department of Energy (DOE), Office of Environmental Management, Oak Ridge Operations (ORO) Office through a joint collaboration between United Cleanup Oak Ridge LLC (UCOR), Oak Ridge National Laboratory (ORNL), and The University of Tennessee, Ecology and Evolutionary Biology, The Institute for Environmental Modeling (TIEM). All rights reserved.
    https://rais.ornl.gov/
    Lanthanum Chloride Heptahydrate
    https://rais.ornl.gov/cgi-bin/tools/TOX_search
  7. EPA Regional Screening Levels for Chemical Contaminants at Superfund Sites
  8. Wikidata
    lanthanum chloride heptahydrate
    https://www.wikidata.org/wiki/Q27271565
  9. PubChem
  10. Medical Subject Headings (MeSH)
    LICENSE
    Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.
    https://www.nlm.nih.gov/copyright.html
  11. EPA Substance Registry Services
  12. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
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