Consensus flow list

Identity

Type
NeutralMolecule
CAS
29082-74-4
EC
684-175-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Octachlorostyrene

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RUYUCCQRWINUHE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12
IUPAC name chemrof:IUPAC_name Octachlorostyrene
Molecular formula chemrof:molecular_formula C8Cl8
Molecular mass chemrof:molecular_mass 379.712
Monoisotopic mass chemrof:monoisotopic_mass 375.75082, 375.750821
SMILES string chemrof:smiles_string ClC(Cl)=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Known URLs

11

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=29082-74-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81542 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.209.644 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021074 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/304368U4VH enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255891 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J596.887I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18148 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18148 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/34466 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155456 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
87eccaed-8814-4915-a564-0444287577f3 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
15303078-5e13-4114-a6cc-3106b5f83b6f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
17501711-32ca-40a7-8143-fa3b4011e369 Environmental → Air → Indoor EF 3.1 kg 0
a4256662-6744-4265-b5f8-aaa6d4206a1f Environmental → Air → Long-term EF 3.1 kg 0
d512acb3-3117-4ed9-ba68-cb2b6a5580cb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
d14804fb-2822-4e74-8b0c-f2c9fae1082c Environmental → Air → Unknown EF 3.1 kg 0
ada8e754-9619-45ff-843a-d3b9f0f19b3f Environmental → Ground → Agricultural EF 3.1 kg 0
cc1f7c32-3030-494c-b031-dbac09178e9a Environmental → Ground → Non-agricultural EF 3.1 kg 0
2f495e2d-a067-499b-b801-b4a6d91f030b Environmental → Ground → Unknown EF 3.1 kg 0
e975f71b-4e09-49d6-a84c-7bce17be1014 Environmental → Water → Long-term EF 3.1 kg 0
cd42e47a-a308-409d-968d-e8bf7fd73248 Environmental → Water → Ocean EF 3.1 kg 0
792cfd66-0f16-4409-8947-8782d36b87bc Environmental → Water → Surface water EF 3.1 kg 0
f18b63c2-80bd-41f1-9e0f-99b6afcf33d7 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-92baf749fd6b5dc5",
  "prefLabel": [
    {
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      "@language": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
      "@value": "1,2,3,4,5-Pentachloro-6-(1,2,2-trichloroethenyl)benzene",
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    {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Benzene, 1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)-",
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    },
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      "@value": "Benzene, pentachloro(trichloroethenyl)-",
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    },
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      "@value": "Perchlorostyrene",
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    },
    {
      "@value": "Styrene, octachloro-",
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    },
    {
      "@value": "Trichlorovinylpentachlorobenzene",
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=29082-74-4"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "684-175-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=684-175-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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