Brightway Flows 1.0
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5-chloro-2-(2,4-dichlorophenoxy)aniline

fo-b0eba3546bd3a9e0

Identity

Type
Neutral molecule
CAS
56966-52-0
EC
260-480-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 5-chloro-2-(2,4-dichlorophenoxy)aniline

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SOOLDKUMSVNBIW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H8Cl3NO/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,16H2
IUPAC name chemrof:IUPAC_name 5-chloro-2-(2,4-dichlorophenoxy)aniline
Molecular formula chemrof:molecular_formula C12H8Cl3NO
Molecular mass chemrof:molecular_mass 288.561
Monoisotopic mass chemrof:monoisotopic_mass 286.967147
SMILES string chemrof:smiles_string Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl

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=56966-52-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.965 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7069150 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2325385 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J267.156E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92602 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81985341 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
52e54238-904f-40c4-a441-50140e795931 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
430aa1ff-c7f5-4b27-9380-47d25a71f3f2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c980b12a-06e0-46b6-b2e5-aa4e13dda6f5 Environmental → Air → Indoor EF 3.1 kg 2
2d575f0d-31e3-42c3-b5ab-69cc9e52b8d5 Environmental → Air → Long-term EF 3.1 kg 0
4f32cefb-cfd4-4bc8-8277-245b6adac64d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
999aed09-f827-43f7-b1da-a49b4b2dddea Environmental → Air → Unknown EF 3.1 kg 2
e1cedf62-9624-4d5c-9767-ab6e10a55ac6 Environmental → Ground → Agricultural EF 3.1 kg 2
129cfb57-bb20-4185-be9d-ff6f57fe7af1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
dd69d2b4-286c-4455-8df8-50cd270a993e Environmental → Ground → Unknown EF 3.1 kg 2
223d53f5-1456-4458-8da0-6b404eed8b63 Environmental → Water → Long-term EF 3.1 kg 0
08792960-7d1a-4c86-b270-507b476e7255 Environmental → Water → Ocean EF 3.1 kg 2
533169e9-4ef5-48b0-bc0f-64fb4cbd3ad3 Environmental → Water → Surface water EF 3.1 kg 2
7de56b22-2374-4541-8c5c-755431e3324e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b0eba3546bd3a9e0",
  "prefLabel": [
    {
      "@value": "5-chloro-2-(2,4-dichlorophenoxy)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Amino-2′,4,4′-trichlorodiphenyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:56966-52-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56966-52-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloro-2-(2,4-dichlorophenoxy)benzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56966-52-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloro-2-(2,4-dichlorophenoxy)phenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, 5-chloro-2-(2,4-dichlorophenoxy)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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  ],
  "properties": {
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    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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    },
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        },
        {
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      },
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  },
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  "created_from": {
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  "parent_intervention_id": null,
  "@type": [
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}

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