Consensus flow list

Identity

Type
NeutralMolecule
CAS
5102-83-0
EC
225-822-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[n-(2,4-dimethylphenyl)-3-oxobutyramide]

Alternative labels

82

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IAFBRPFISOTXSO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)
IUPAC name chemrof:IUPAC_name 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]
Molecular formula chemrof:molecular_formula C36H34Cl2N6O4
Molecular mass chemrof:molecular_mass 685.612
Monoisotopic mass chemrof:monoisotopic_mass 684.201859
SMILES string chemrof:smiles_string CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C

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=5102-83-0 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5336 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O8RYS681QI enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.634D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73462 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126678139 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27285482 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e3b53520-ec63-4b80-bf6a-4f77eaa109a7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7ad4440f-cd3d-42e7-9d62-e4ce599cb2db Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
32e92d51-6656-433b-82d4-513125a7746c Environmental → Air → Indoor EF 3.1 kg 4
403c9db2-762f-4bb1-bece-5fed5552fe38 Environmental → Air → Long-term EF 3.1 kg 0
a31e1e30-876b-44a8-894a-a99e6d632bd7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
49709649-c799-445d-b7c8-75376b33550b Environmental → Air → Unknown EF 3.1 kg 4
316d8bc4-9df5-4ebb-b13a-ebcb7df2dfa6 Environmental → Ground → Agricultural EF 3.1 kg 4
f7d1766e-01d1-4eba-92ea-fb013aac3655 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7b3fde1e-3433-4654-a22d-a6c39ad2a0fd Environmental → Ground → Unknown EF 3.1 kg 4
6269def3-6f61-4649-80ec-1ccf86082f4e Environmental → Water → Long-term EF 3.1 kg 0
3d72feba-2908-4632-9876-fcb67a955469 Environmental → Water → Ocean EF 3.1 kg 4
a55d9d8c-adac-4b14-a154-b9f5a29363e9 Environmental → Water → Surface water EF 3.1 kg 4
5dc22c84-b1c1-4773-b79b-ccb5f880bfbd 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-ea893bd10c4f738c",
  "prefLabel": [
    {
      "@value": "2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[n-(2,4-dimethylphenyl)-3-oxobutyramide]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=5102-83-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide",
      "@language": "en",
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    },
    {
      "@value": "Benzidine Yellow 13",
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    },
    {
      "@value": "Benzidine Yellow GE",
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    {
      "@value": "Benzidine Yellow GR",
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      "@value": "Benzidine Yellow Lemon 12221",
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    },
    {
      "@value": "Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-",
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    },
    {
      "@value": "Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-",
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      "@value": "C.I. Pigment Yellow 13",
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    {
      "@value": "Cromophtal Yellow HG",
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      "@value": "Dainichi Benzidine Yellow 2GR",
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      "@value": "Discoall K 6820",
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      "@value": "Elkon Fast Yellow GR",
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      "@value": "Flexiverse Yellow 13",
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    {
      "@value": "Flexiverse Yellow YFD 1303",
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    },
    {
      "@value": "Graphtol Yellow RGS",
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    },
    {
      "@value": "Helio Fast Yellow GRF",
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    {
      "@value": "Helio Fast Yellow GRN",
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    },
    {
      "@value": "Hostafine Yellow GR",
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    },
    {
      "@value": "Hostaperm Yellow GR",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgalite Yellow B 3L",
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      }
    },
    {
      "@value": "Irgalite Yellow BAW",
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        ],
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      }
    },
    {
      "@value": "Irgalite Yellow BAWX",
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        ],
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      }
    },
    {
      "@value": "Irgalite Yellow BGW",
      "@language": "en",
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    },
    {
      "@value": "Irgalite Yellow BKW",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgalite Yellow K 1415",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgalite Yellow LBG",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Irgalite Yellow LBIW",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgaplast Yellow IRS",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isol Benzidene Yellow GRX 2548",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Isol Benzidine Fast Yellow GRX",
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    },
    {
      "@value": "Isol Benzidine Fast Yellow GRX spec",
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    },
    {
      "@value": "Isol Diaryl Yellow GRF",
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    },
    {
      "@value": "KET Yellow 405",
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      }
    },
    {
      "@value": "Keystone Jet Print Micro Yellow",
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      }
    },
    {
      "@value": "Kromon Yellow GXR",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Latexol Fast Yellow JR",
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