Aluminum chlorhydrex
PubChem CID
6452756
Structure
Chemical Safety
Molecular Formula
Synonyms
- Aluminum chlorhydrex
- 53026-85-0
- aluminum;propane-1,2-diol;trihypochlorite;hydrate
- EINECS 258-309-3
- YXZZLAMCXFHTTE-UHFFFAOYSA-N
Molecular Weight
275.44 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2006-04-29
- Modify:2025-01-18
See also: Aluminum, chloro propylene glycol complexes (annotation moved to).
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt
aluminum;propane-1,2-diol;trihypochlorite;hydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C3H8O2.Al.3ClO.H2O/c1-3(5)2-4;;3*1-2;/h3-5H,2H2,1H3;;;;;1H2/q;+3;3*-1;
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YXZZLAMCXFHTTE-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(CO)O.O.[O-]Cl.[O-]Cl.[O-]Cl.[Al+3]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C3H10AlCl3O6
Computed by PubChem 2.2 (PubChem release 2021.10.14)
53026-85-0
68953-68-4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
275.44 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
273.935835 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
273.935835 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
111 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
22.9
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
1
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
6
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Aluminum, chloro propylene glycol complexes (annotation moved to)
EPA TSCA Commercial Activity Status
Aluminum Chlorohydrex: ACTIVE
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Not Classified
The Australian Inventory of Industrial Chemicals
Chemical: Aluminium chlorohydrex
New Zealand EPA Inventory of Chemical Status
Aluminum Chlorohydrex: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
- Australian Industrial Chemicals Introduction Scheme (AICIS)Aluminium chlorohydrexhttps://services.industrialchemicals.gov.au/search-inventory/
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Aluminum Chlorohydrexhttps://commonchemistry.cas.org/detail?cas_rn=53026-85-0
- ChemIDplusAluminum chlorohydrex [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0053026850Aluminum, chloro propylene glycol complexeshttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0068953684ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCAAluminum Chlorohydrexhttps://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeAluminium, chloro hydroxy propylene glycol complexeshttps://echa.europa.eu/substance-information/-/substanceinfo/100.052.991Aluminium, chloro hydroxy propylene glycol complexes (EC: 258-309-3)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/85722
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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