Consensus flow list

Identity

Type
Neutral molecule
CAS
2227-17-0
EC
218-763-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dienochlor

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LWLJUMBEZJHXHV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18
IUPAC name chemrof:IUPAC_name 1,2,3,4,5-Pentachloro-5-(1,2,3,4,5-pentachlorocyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
Molecular formula chemrof:molecular_formula C10Cl10
Molecular mass chemrof:molecular_mass 474.64
Monoisotopic mass chemrof:monoisotopic_mass 469.688527, 469.68853
SMILES string chemrof:smiles_string ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl

Known URLs

16

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=2227-17-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81753 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.058 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9032371 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26106 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41880 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1355965 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/243Z2SVZ40 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251233 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.371G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18446 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18446 enrich_references.pubchem_identifier_url
ppdb ppdb:227 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16686 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3032700 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dienochlor enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
b70cb374-5899-432c-b636-a13fde3d585e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0e70b612-c48a-44da-8a60-4ff3d678b97c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e45cecca-134f-4d7c-a1ab-c09701493cdb Environmental → Air → Indoor EF 3.1 kg 2
3854ae9d-69d5-4066-8abb-9d911f1f2675 Environmental → Air → Long-term EF 3.1 kg 0
38fc2df5-bde4-4e4c-b2a3-e86d8dd275f6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
50c7b15f-0f64-449e-b431-79643f597a90 Environmental → Air → Unknown EF 3.1 kg 2
aab5bf42-e3c2-4cfe-baea-58b266635646 Environmental → Ground → Agricultural EF 3.1 kg 2
5c6d6b3f-dd28-412f-8675-efde222b21a2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3733f608f5c281aef87406cac47a84fd4de8d588 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
e43cc28b-9b1d-479c-96e8-cdf61860c64c Environmental → Ground → Unknown EF 3.1 kg 2
0f5963b7-e48b-479b-b329-89537b9f34c9 Environmental → Water → Long-term EF 3.1 kg 0
2a0c1ca9-e8b2-4138-8844-b205ec25231b Environmental → Water → Ocean EF 3.1 kg 2
657c1db7-3313-486f-82bc-cccc0b2327bf Environmental → Water → Surface water EF 3.1 kg 2
b753c98c-749d-48ad-9511-33cae7e0f275 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6cd6a75e4f770650",
  "prefLabel": [
    {
      "@value": "Dienochlor",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′,2,2′,3,3′,4,4′,5,5′-Decachlorobi-2,4-cyclopentadien-1-yl",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2,3,4,5-Pentachloro-5-(1,2,3,4,5-pentachlorocyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bi-2,4-cyclopentadien-1-yl, 1,1′,2,2′,3,3′,4,4′,5,5′-decachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bi-2,4-cyclopentadien-1-yl, decachloro-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Bis(pentachloro-2,4-cyclopentadien-1-yl)",
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      }
    },
    {
      "@value": "Decachlor",
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    },
    {
      "@value": "Decachlorobi-2,4-cyclopentadien-1-yl",
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      }
    },
    {
      "@value": "Hooker HRS 16",
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    },
    {
      "@value": "Hooker HRS 1654",
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      }
    },
    {
      "@value": "Pentac",
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      }
    },
    {
      "@value": "Pentac AquaFlow",
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    },
    {
      "@value": "Pentac SP",
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    },
    {
      "@value": "Pentac WP",
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  ],
  "properties": {
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        "C10Cl10"
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      "attested_by": {
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      },
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18"
      ],
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        {
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    },
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      "@value": [
        "LWLJUMBEZJHXHV-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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        {
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        },
        {
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    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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  },
  "references": [
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