Consensus flow list

Identity

Type
NeutralMolecule
CAS
6842-62-2
EC
614-477-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-chloro-3-(4-chlorophenoxy) Benzene

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HPRGYUWRGCTBAV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
IUPAC name chemrof:IUPAC_name 1-chloro-3-(4-chlorophenoxy) Benzene
Molecular formula chemrof:molecular_formula C12H8Cl2O
Molecular mass chemrof:molecular_mass 239.101
Monoisotopic mass chemrof:monoisotopic_mass 237.99522
SMILES string chemrof:smiles_string Clc1ccc(Oc2cccc(Cl)c2)cc1

Known URLs

7

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=6842-62-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.129.023 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60871935 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IH41RTF1MQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.897F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/81283 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280723 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a13fe41a-8435-4551-8b60-bad6495d9627 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8ba781ce-6026-4678-b754-07013c4ffa13 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
dff1f4a9-3603-4844-ad6c-15032a4f0d38 Environmental → Air → Indoor EF 3.1 kg 4
4ac16c8a-2c99-480b-bffe-2e9a7f19ec6d Environmental → Air → Long-term EF 3.1 kg 0
a288b758-4b1d-4681-a020-214a5db1610d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e9991499-b540-4af5-b361-f8181bc62d9a Environmental → Air → Unknown EF 3.1 kg 4
67dd3bae-3cc3-4d4f-ac8c-800a1ee0fb74 Environmental → Ground → Agricultural EF 3.1 kg 4
fa7d9483-17e5-4ac9-8f65-4cdeb7803160 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9172d3b3-861b-4849-937d-f3b288866984 Environmental → Ground → Unknown EF 3.1 kg 4
02646b37-5fae-4178-81ef-2ea24b422c5a Environmental → Water → Long-term EF 3.1 kg 0
0894561f-cc7b-45b1-b0bb-ca621af400fe Environmental → Water → Ocean EF 3.1 kg 4
f17a1271-289e-4947-8fd0-358552021ce2 Environmental → Water → Surface water EF 3.1 kg 4
ea426802-f324-4974-a0df-145c5e79632d 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-4869f91a2204f255",
  "prefLabel": [
    {
      "@value": "1-chloro-3-(4-chlorophenoxy) Benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Chloro-3-(4-chlorophenoxy)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6842-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4′-Dichlorodiphenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=6842-62-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-3-(4-chlorophenoxy)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ether, m-chlorophenyl p-chlorophenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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        },
        {
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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"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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      "@value": [
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      ],
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          ]
        },
        {
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  },
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  "created_from": {
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    "seed_uuid": "02646b37-5fae-4178-81ef-2ea24b422c5a",
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}

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