Consensus flow list

Identity

Type
Chemical salt
CAS
7789-80-2
EC
232-191-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Calcium Diiodate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AEGVMWGRXRYRNZ-UHFFFAOYSA-L, BNWMVYQVSFDCEJ-UHFFFAOYSA-N, RBLVAPCXDSLCIJ-UHFFFAOYSA-N, UHWJJLGTKIWIJO-UHFFFAOYSA-L, XVDKZBKZYRKHDX-UHFFFAOYSA-N, ZEFMCJAPWXIOMX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/Ca.2IO3/c;2*2-1(3)4/q+2;2*-1
IUPAC name chemrof:IUPAC_name Calcium Diiodate
Molecular formula chemrof:molecular_formula CaH2I2O6, CaHIO3, CaI2O6, CaI2O6-12, H2CaI2O6
SMILES string chemrof:smiles_string [Ca+2].[O-][I+2]([O-])[O-].[O-][I+2]([O-])[O-]

Known URLs

13

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=7789-80-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.029.265 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301014485 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L8MN4Y57BR enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303555 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.735B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/124204047 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/154734631 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16211541 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24619 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2185998 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Calcium_iodate enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Lautarite enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9cb1f514-d37f-460a-9833-45eb9cf103b1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9a90fefd-57bd-42a0-9b62-6b7de45b8baa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ffeb65db-c94a-48cc-b7c8-d5f5582f7198 Environmental → Air → Indoor EF 3.1 kg 2
d0c878c4-2881-4267-9e8b-dfcdd47cbb1b Environmental → Air → Long-term EF 3.1 kg 0
e768a55f-fc67-4ff8-ad7a-49f73e88cac8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cc38ab39-df7a-4a99-b100-77ba4ccb898e Environmental → Air → Unknown EF 3.1 kg 2
1d4f045c-eec5-4a8c-87b5-c0ea93d558ba Environmental → Ground → Agricultural EF 3.1 kg 2
fa3f3966-e1d9-45f0-a231-58cafd4ca60c Environmental → Ground → Non-agricultural EF 3.1 kg 2
572a38c0-198e-4423-bb32-958b44e50239 Environmental → Ground → Unknown EF 3.1 kg 2
906bb69e-58eb-483c-9c8a-c151d984191e Environmental → Water → Long-term EF 3.1 kg 0
1641dc79-5148-42a8-96ff-371b80e0f637 Environmental → Water → Ocean EF 3.1 kg 2
aea2e817-6674-453e-9ece-26c440c529e0 Environmental → Water → Surface water EF 3.1 kg 2
0ea0656e-4cf4-4aaf-a157-2afc219f0145 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2fbc9af2c4759738",
  "prefLabel": [
    {
      "@value": "Calcium Diiodate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Calcium iodate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7789-80-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calcium iodate (Ca(IO3)2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iodic acid (HIO3), calcium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iodic acid (HIO3), calcium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iodic acid, calcium salt",
      "@language": "en",
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      }
    },
    {
      "@value": "Laurarite",
      "@language": "en",
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  "properties": {
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        "CaI2O6": [
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        "CaI2O6-12": [
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        ],
        "H2CaI2O6": [
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      },
      "rdfs:label": "Molecular formula",
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}

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