Consensus flow list

Dichloro(oxo)zirconium

fo-e029564106c11640

Identity

Type
Molecular complex
CAS
7699-43-6
EC
231-717-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dichloro(oxo)zirconium

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CMOAHYOGLLEOGO-UHFFFAOYSA-N, IPCAPQRVQMIMAN-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2ClH.O.Zr/h2*1H;;, InChI=1S/2ClH.O.Zr/h2*1H;;/q;;;+2/p-2
IUPAC name chemrof:IUPAC_name ketozirconium;dihydrochloride, oxidanylidenezirconium;dihydrochloride, oxozirconium;dihydrochloride
Molecular formula chemrof:molecular_formula Cl2H2OZr, Cl2OZr, H2Cl2OZr
SMILES string chemrof:smiles_string O=[Zr].Cl.Cl, [O]=[Zr]([Cl])[Cl]

Known URLs

14

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7699-43-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53479 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9049823 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=115914 enrich_references.pubchem_identifier_url
gmelin gmelin:1041792 enrich_references.chebi_xrefs
gmelin gmelin:42782 enrich_references.chebi_xrefs
gmelin gmelin:9649 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24373 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/2469014 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8991630 enrich_references.chebi_xrefs
reaxys reaxys:13202996 enrich_references.chebi_xrefs
reaxys reaxys:14243567 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q126615084 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q128540 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
155acc05-c7f6-4c09-9570-d92bc47881ef Environmental → Air → Aircraft cruise height EF 3.1 kg 4
797da8c6-643e-43b2-9591-471436f663aa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5a1566d5-644e-49c5-996c-2b6b97169c76 Environmental → Air → Indoor EF 3.1 kg 4
56cb2765-8f0e-4079-810d-d5cd98b555d3 Environmental → Air → Long-term EF 3.1 kg 0
0d655c0f-4d08-4205-b354-353e8727fcbf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fa286dab-db11-431a-9757-b31ae476f66a Environmental → Air → Unknown EF 3.1 kg 4
c653f569-ba4d-4119-9f6d-35b1193d9aec Environmental → Ground → Agricultural EF 3.1 kg 4
d8ea45da-01da-4ae8-ae8d-aaae71d98851 Environmental → Ground → Non-agricultural EF 3.1 kg 4
0ee63ad6-069a-428c-a9f8-963954738a1b Environmental → Ground → Unknown EF 3.1 kg 4
2a66fdd9-eb33-443a-9bf3-acbf99385458 Environmental → Water → Long-term EF 3.1 kg 0
30eee56b-074d-4ac7-a8ce-82671226090c Environmental → Water → Ocean EF 3.1 kg 4
9593f07a-5177-4da2-acf0-a415ad96f5a8 Environmental → Water → Surface water EF 3.1 kg 4
34beba58-a01d-4131-ad94-f551bd6a9e72 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
      "@value": "Zirconium chloride oxide (ZrOCl2)",
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    {
      "@value": "Zirconium oxide dichloride",
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    },
    {
      "@value": "Zirconium oxychloride",
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    {
      "@value": "Zirconium oxychloride (ZrOCl2)",
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    },
    {
      "@value": "Zirconium oxydichloride",
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    {
      "@value": "Zirconium, dichlorooxo-",
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      "@value": "Zirconyl chloride",
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    {
      "@value": "Zirconyl chloride (ZrOCl2)",
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    {
      "@value": "Zirconyl dichloride",
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    },
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      "@value": "Zircosol ZC",
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      "@value": "Zircosol ZC 20",
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    },
    {
      "@value": "ZrCl2O",
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  "properties": {
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