Consensus flow list

Identity

Type
NeutralMolecule
CAS
84852-53-9
EC
284-366-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,2-bis(pentabromophenyl) Ethane

Alternative labels

19

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BZQKBFHEWDPQHD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2
IUPAC name chemrof:IUPAC_name 1,2-bis(pentabromophenyl) Ethane
Molecular formula chemrof:molecular_formula C14H4Br10
Molecular mass chemrof:molecular_mass 971.226
Monoisotopic mass chemrof:monoisotopic_mass 961.214671
SMILES string chemrof:smiles_string Brc1c(Br)c(Br)c(CCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br

Known URLs

9

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=84852-53-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.076.669 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2052732 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL219257 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WZ2532TA0A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J333.572K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10985889 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3410491 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Decabromodiphenyl_ethane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ff74adc1-fcd6-4d84-8494-24deaec346ef Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b365ba76-09c6-4358-aeb7-5bbd55e7c255 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
45ad985d-be39-47ba-aab4-757948defe78 Environmental → Air → Indoor EF 3.1 kg 4
91311492-f124-4930-9ec3-712773d7d067 Environmental → Air → Long-term EF 3.1 kg 0
4b50804a-7cb9-4ce9-b8fa-a18ceae1cab9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d421f9e7-3e0f-4a08-9ca1-ad57adc16043 Environmental → Air → Unknown EF 3.1 kg 4
56881b0b-e621-4bab-ada1-d1ae28dfe1af Environmental → Ground → Agricultural EF 3.1 kg 4
dc58217e-0540-4ec1-802d-d8e5193aa633 Environmental → Ground → Non-agricultural EF 3.1 kg 4
eef5d618-90de-4e8a-b1b8-7093b05b6df6 Environmental → Ground → Unknown EF 3.1 kg 4
5e6e64b6-f242-4b9d-8d62-ac4f540b46b0 Environmental → Water → Long-term EF 3.1 kg 0
c5e248b3-0f05-44ac-a4e0-89f3e8177351 Environmental → Water → Ocean EF 3.1 kg 4
a932ddbe-f23a-4144-9274-d56aa71e0775 Environmental → Water → Surface water EF 3.1 kg 4
4c697fea-2704-4a4a-b00c-70fb39eca514 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5a86d8894b0517f3",
  "prefLabel": [
    {
      "@value": "1,2-bis(pentabromophenyl) Ethane",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-(1,2-Ethanediyl)bis[2,3,4,5,6-pentabromobenzene]",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2,3,4,5-Pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene",
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      }
    },
    {
      "@value": "1,2-Bis(2,3,4,5,6-pentabromophenyl)ethane",
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    },
    {
      "@value": "1,2-Bis(pentabromodiphenyl)ethane",
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    },
    {
      "@value": "1,2-Bis(pentabromophenyl)ethane",
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    },
    {
      "@value": "802A",
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    },
    {
      "@value": "Benzene, 1,1′-(1,2-ethanediyl)bis[2,3,4,5,6-pentabromo-",
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      }
    },
    {
      "@value": "Bis(pentabromophenyl)ethane",
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    },
    {
      "@value": "DBDPE",
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    },
    {
      "@value": "DBDPE 25",
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    },
    {
      "@value": "Decabromodiphenylethane",
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    },
    {
      "@value": "Ethylenebis(pentabromobiphenyl)",
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      }
    },
    {
      "@value": "Ethylenebispentabromobenzene",
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    },
    {
      "@value": "Fire Cut FCP 801",
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    },
    {
      "@value": "Firemaster FM 2100R",
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    },
    {
      "@value": "FR 102WE",
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      }
    },
    {
      "@value": "H 02NF",
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        ],
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      }
    },
    {
      "@value": "Planelon BDE",
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    },
    {
      "@value": "TY 202SX",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H4Br10"
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      "attested_by": {
        "C14H4Br10": [
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      },
      "rdfs:label": "Molecular formula",
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        {
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          "prov:hadPrimarySource": [
            "Brc1c(Br)c(Br)c(CCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "BZQKBFHEWDPQHD-UHFFFAOYSA-N"
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            "Brc1c(Br)c(Br)c(CCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br"
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Brc1c(Br)c(Br)c(CCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br"
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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    "https://w3id.org/chemrof/IUPAC_name": {
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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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        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
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