2,2'-[(2,2',5,5'-tetrachlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(2,4-dimethylphenyl)-3-oxobutanamide]

2,2′-[(2,2′,5,5′-Tetrachloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]
2′,4′-Acetoacetoxylidide, 2,2′′-[(2,2′,5,5′-tetrachloro-4,4′-biphenylylene)bis(azo)]bis-
Butanamide, 2,2′-[(2,2′,5,5′-tetrachloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-
Butanamide, 2,2′-[(2,2′,5,5′-tetrachloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-
C.I. Pigment Yellow 81
KET Yellow 401
Lithol Fast Yellow 0991K
Novoperm Yellow H 10G
Novoperm Yellow H 10G01
Permanent Yellow H 10G
Pigment Yellow 81
PV Yellow H 10G
UT Yellow 4683

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GPWXTTPSHZOIKO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)
IUPAC name chemrof:IUPAC_name	2,2′-[(2,2′,5,5′-Tetrachloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]
Molecular formula chemrof:molecular_formula	C36H32Cl4N6O4
Molecular mass chemrof:molecular_mass	754.502
Monoisotopic mass chemrof:monoisotopic_mass	752.123914
SMILES string chemrof:smiles_string	CC(=O)C(N=Nc1cc(Cl)c(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1Cl)C(=O)Nc1ccc(C)cc1C

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=22094-93-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.040.691	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID20865032	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DGH1X24C9Z	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0260301	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.891B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/89597	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q126609047	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q16979321	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Pigment_Yellow_81	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
17715923-bf3f-499f-a80c-149f366da46d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
cea1a786-ba11-410a-8563-d9e8319b79b3	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
21b45224-6339-40be-8a11-1f39ca23b53e	Environmental → Air → Indoor	EF 3.1	kg	4
dfab7e76-34c2-4eeb-8b3e-56404b112101	Environmental → Air → Long-term	EF 3.1	kg	0
97c333a7-e202-429c-8422-f51d9b0fa88d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
8ba27df2-7c18-403f-83a3-f1156dd041b8	Environmental → Air → Unknown	EF 3.1	kg	4
b870d81b-b062-4a05-a1b0-909aca6b80b9	Environmental → Ground → Agricultural	EF 3.1	kg	4
b8c438c3-1952-4989-b249-f4b309705329	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
22afedf3-5936-48f7-8fb6-ef3ee9821fc4	Environmental → Ground → Unknown	EF 3.1	kg	4
f2b75bd8-1f47-425f-843d-a15bd6435dce	Environmental → Water → Long-term	EF 3.1	kg	0
1160b4f0-e814-4988-8e7a-cf67c48756ee	Environmental → Water → Ocean	EF 3.1	kg	4
4d587625-e199-4c27-bc84-18925f2a9320	Environmental → Water → Surface water	EF 3.1	kg	4
8bbf3dd1-275f-4702-8004-52ef88429522	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-8de021cdd4232a3a",
  "prefLabel": [
    {
      "@value": "2,2'-[(2,2',5,5'-tetrachlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(2,4-dimethylphenyl)-3-oxobutanamide]",
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        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "2,2′-[(2,2′,5,5′-Tetrachloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]",
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        ],
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      }
    },
    {
      "@value": "2′,4′-Acetoacetoxylidide, 2,2′′-[(2,2′,5,5′-tetrachloro-4,4′-biphenylylene)bis(azo)]bis-",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Butanamide, 2,2′-[(2,2′,5,5′-tetrachloro[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′-[(2,2′,5,5′-tetrachloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-",
      "@language": "en",
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      "@value": "C.I. Pigment Yellow 81",
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        ],
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      }
    },
    {
      "@value": "KET Yellow 401",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lithol Fast Yellow 0991K",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Novoperm Yellow H 10G",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Novoperm Yellow H 10G01",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Permanent Yellow H 10G",
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        ],
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      }
    },
    {
      "@value": "Pigment Yellow 81",
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        ],
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      }
    },
    {
      "@value": "PV Yellow H 10G",
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      }
    },
    {
      "@value": "UT Yellow 4683",
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  "properties": {
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      "@value": [
        "C36H32Cl4N6O4"
      ],
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        {
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            "CC(=O)C(N=Nc1cc(Cl)c(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1Cl)C(=O)Nc1ccc(C)cc1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GPWXTTPSHZOIKO-UHFFFAOYSA-N"
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            "CC(=O)C(N=Nc1cc(Cl)c(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1Cl)C(=O)Nc1ccc(C)cc1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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        "CC(=O)C(N=Nc1cc(Cl)c(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1Cl)C(=O)Nc1ccc(C)cc1C"
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      "attested_by": {
        "CC(=O)C(N=Nc1cc(Cl)c(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1Cl)C(=O)Nc1ccc(C)cc1C": [
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)"
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        "InChI=1S/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)": [
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            "CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)Cl)C3=CC(=C(C=C3Cl)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)Cl)Cl)C"
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        },
        {
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            "CC(=O)C(N=Nc1cc(Cl)c(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1Cl)C(=O)Nc1ccc(C)cc1C"
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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": {
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      "@value": [
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      "provenance": [
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            "CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)Cl)C3=CC(=C(C=C3Cl)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)Cl)Cl)C"
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        },
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  "references": [
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2,2'-[(2,2',5,5'-tetrachlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(2,4-dimethylphenyl)-3-oxobutanamide]

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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