Consensus flow list

Identity

Type
Neutral molecule
CAS
84632-50-8
EC
412-640-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NCJJATWTZAPAMW-UHFFFAOYSA-N, WAEJKWBHPKBKKZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H10N4O2/c21-9-11-3-1-5-13(7-11)17-15-16(20(26)23-17)18(24-19(15)25)14-6-2-4-12(8-14)10-22/h1-8H,(H,23,26)(H,24,25)
IUPAC name chemrof:IUPAC_name 3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile
Molecular formula chemrof:molecular_formula C20H10N4O2
SMILES string chemrof:smiles_string N#Cc1cccc(C2=C3C(=O)NC(c4cccc(C#N)c4)=C3C(=O)N2)c1

Known URLs

8

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=84632-50-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.110.300 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901020020 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GCW2MZH8FF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.185.500H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135440630 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126606985 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q132936481 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9bd6a9ab-3022-42e4-a05e-d6655776e053 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9b13a371-fd0b-4b75-a4ca-d8360357f5e7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1d2a41e6-f091-4841-8947-a80d5e0c06eb Environmental → Air → Indoor EF 3.1 kg 4
1c820c76-dc8d-4764-9e9e-68870aeed194 Environmental → Air → Long-term EF 3.1 kg 0
8bba24fd-edf5-4ffa-afd0-0850890c4958 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
decf245a-acb9-4377-ae5d-b74779fe8b8c Environmental → Air → Unknown EF 3.1 kg 4
0cca2256-7078-4879-a22b-2db21ac3bb4a Environmental → Ground → Agricultural EF 3.1 kg 4
4cd05f53-5af3-472b-b13c-7b571f227d0c Environmental → Ground → Non-agricultural EF 3.1 kg 4
c71e0cb2-99b5-431e-867c-df0d61bdfb04 Environmental → Ground → Unknown EF 3.1 kg 4
78169535-6652-4bf9-8fe7-830b6022d7a0 Environmental → Water → Long-term EF 3.1 kg 0
6cf998dd-7839-4b13-83a1-cb1ef4321a17 Environmental → Water → Ocean EF 3.1 kg 4
6f8aef12-8308-4cc7-9ea4-dbd6a659ffdc Environmental → Water → Surface water EF 3.1 kg 4
e60a98a6-0c2b-4486-a816-bce9cabc56ff Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7e62fc6fc1bb0c85",
  "prefLabel": [
    {
      "@value": "3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile",
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    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Diketo-3,6-di(3-cyanophenyl)pyrrolo(3,4-c)pyrrole",
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    },
    {
      "@value": "3,3′-(2,3,5,6-Tetrahydro-3,6-dioxopyrrolo[3,4-c]pyrrole-1,4-diyl)bis[benzonitrile]",
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    },
    {
      "@value": "3,6-Bis(3-cyanophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione",
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        "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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