Consensus flow list

3,6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione/n

fo-df666b4194689ebe

Identity

Type
NeutralMolecule
CAS
84632-59-7
EC
416-250-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione/n

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LUWZMQBKBJUDAU-UHFFFAOYSA-N, WKDXGFAVUSYQON-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H28N2O2/c1-25(2,3)17-11-7-15(8-12-17)21-19-20(24(30)27-21)22(28-23(19)29)16-9-13-18(14-10-16)26(4,5)6/h7-14H,1-6H3,(H,27,30)(H,28,29)
IUPAC name chemrof:IUPAC_name 3,6-Bis(4-(tert-butyl)phenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
Molecular formula chemrof:molecular_formula C26H28N2O2
SMILES string chemrof:smiles_string CC(C)(C)c1ccc(C2=C3C(=O)NC(c4ccc(C(C)(C)C)cc4)=C3C(=O)N2)cc1

Known URLs

6

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=84632-59-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.111.181 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID601020021 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.018.062G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135739860 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26706177 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c347065e-dfb2-4e45-95af-ee70177b7085 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f20bef92-3027-4583-ad8a-aa13d8f7fe1e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
15629ce7-cfd6-4142-996b-d598282607fe Environmental → Air → Indoor EF 3.1 kg 4
81c573eb-a9d7-4f9a-85fd-cdf75411bc4f Environmental → Air → Long-term EF 3.1 kg 0
966dba6b-6573-4a8d-9e5f-e646bdcc8abe Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2b527ed9-5ca7-4df4-a551-c9d6b5840942 Environmental → Air → Unknown EF 3.1 kg 4
47c32760-ced5-4942-93d7-14d3059427c1 Environmental → Ground → Agricultural EF 3.1 kg 4
d4d2fbd9-fec8-4db7-b1df-2340c2f63246 Environmental → Ground → Non-agricultural EF 3.1 kg 4
887b8734-169a-4127-9215-0f1034c998f5 Environmental → Ground → Unknown EF 3.1 kg 4
8fbd7a57-cc4d-454f-b4f7-bcef70c2e051 Environmental → Water → Long-term EF 3.1 kg 0
6edd5f38-db6a-4041-b8de-8444965612e3 Environmental → Water → Ocean EF 3.1 kg 4
003a9d31-4e37-4ab0-956e-e911aec195aa Environmental → Water → Surface water EF 3.1 kg 4
e647be10-9286-40a0-8d2f-6badce8f812a 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 
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=84632-59-7"
        }
      ],
      "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": [
        "416-250-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=416-250-2"
      ],
      "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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