3,3'-{(2-chloro-5-methyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-n-(3-chloro-2-methylphenyl)benzamide]

3,3′-[(2-Chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)benzamide]
Benzamide, 3,3′-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-
Benzamide, 3,3′-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-
C.I. Pigment Yellow 93
Cromophtal Yellow 3G
Cromophtal Yellow D 1040
Microlith Yellow 3G-K
Microlith Yellow 3GT
Microlith Yellow 4G-A
o-Benzotoluidide, 3,3′′-[(2-chloro-5-methyl-p-phenylene)bis(iminocarbonylacetonylideneazo)]bis[3′,4-dichloro-
Pigment Yellow 93
Yellow 3GT

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PFTIMORLWNOYIQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C43H35Cl5N8O6/c1-20-16-35(52-43(62)39(24(5)58)56-54-37-18-26(13-15-30(37)47)41(60)50-33-11-7-9-28(45)22(33)3)31(48)19-34(20)51-42(61)38(23(4)57)55-53-36-17-25(12-14-29(36)46)40(59)49-32-10-6-8-27(44)21(32)2/h6-19,38-39H,1-5H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)
IUPAC name chemrof:IUPAC_name	3,3′-[(2-Chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)benzamide]
Molecular formula chemrof:molecular_formula	C43H35Cl5N8O6
Molecular mass chemrof:molecular_mass	937.068
Monoisotopic mass chemrof:monoisotopic_mass	934.112219
SMILES string chemrof:smiles_string	CC(=O)C(N=Nc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)C(C)=O)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=5580-57-4	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.024.519	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40863570	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XTA5R5B6FX	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J225.033K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/110674	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126609982	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27293983	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
3874f0a6-fa97-4f3a-a82a-9f8c71dd5163	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
423d2958-789e-43a4-909a-e18bf6d3742c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3a723d82-3331-4706-be44-25eff6008b26	Environmental → Air → Indoor	EF 3.1	kg	4
bd2f02cb-7632-4471-8093-c41790ea6c65	Environmental → Air → Long-term	EF 3.1	kg	0
23a943a0-d825-4de0-b96a-2f1e10e5defa	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
3fb8881e-8384-4d27-ad54-cab81d66a3b4	Environmental → Air → Unknown	EF 3.1	kg	4
e7362321-650d-4cc3-8a90-a49336b4b9cb	Environmental → Ground → Agricultural	EF 3.1	kg	4
1264ccb2-2e8a-4f04-9583-a9edc000b5df	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
24379ae5-537d-453e-bd18-37217683ef3f	Environmental → Ground → Unknown	EF 3.1	kg	4
d3353cc5-6b00-452c-bb65-0bc375851185	Environmental → Water → Long-term	EF 3.1	kg	0
0b7074b3-965a-40a9-ac1b-4049fce08ee2	Environmental → Water → Ocean	EF 3.1	kg	4
879912ff-3fe7-4c0e-b826-1d6b4c043a8b	Environmental → Water → Surface water	EF 3.1	kg	4
4f1b7583-b420-4969-b7ef-01a7b5f9e2cf	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-cfaf0c77aa0f46c9",
  "prefLabel": [
    {
      "@value": "3,3'-{(2-chloro-5-methyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-n-(3-chloro-2-methylphenyl)benzamide]",
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      "@value": "3,3′-[(2-Chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)benzamide]",
      "@language": "en",
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    },
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      "@value": "Benzamide, 3,3′-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
      "@value": "Benzamide, 3,3′-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-",
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    },
    {
      "@value": "C.I. Pigment Yellow 93",
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    {
      "@value": "Cromophtal Yellow 3G",
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      "@value": "Cromophtal Yellow D 1040",
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      }
    },
    {
      "@value": "Microlith Yellow 3G-K",
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    },
    {
      "@value": "Microlith Yellow 3GT",
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        ],
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      }
    },
    {
      "@value": "Microlith Yellow 4G-A",
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    },
    {
      "@value": "o-Benzotoluidide, 3,3′′-[(2-chloro-5-methyl-p-phenylene)bis(iminocarbonylacetonylideneazo)]bis[3′,4-dichloro-",
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    },
    {
      "@value": "Pigment Yellow 93",
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    },
    {
      "@value": "Yellow 3GT",
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  "properties": {
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      "@value": [
        "C43H35Cl5N8O6"
      ],
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      },
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            "CC(=O)C(N=Nc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)C(C)=O)cc1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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        "PFTIMORLWNOYIQ-UHFFFAOYSA-N"
      ],
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            "CC(=O)C(N=Nc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)C(C)=O)cc1C"
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      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)C(N=Nc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)C(C)=O)cc1C"
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        }
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        "CC(=O)C(N=Nc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)C(C)=O)cc1C": [
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C43H35Cl5N8O6/c1-20-16-35(52-43(62)39(24(5)58)56-54-37-18-26(13-15-30(37)47)41(60)50-33-11-7-9-28(45)22(33)3)31(48)19-34(20)51-42(61)38(23(4)57)55-53-36-17-25(12-14-29(36)46)40(59)49-32-10-6-8-27(44)21(32)2/h6-19,38-39H,1-5H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)"
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        "3,3′-[(2-Chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)benzamide]"
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        "3,3′-[(2-Chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)benzamide]": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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            "CC1=CC(=C(C=C1NC(=O)C(C(=O)C)N=NC2=C(C=CC(=C2)C(=O)NC3=C(C(=CC=C3)Cl)C)Cl)Cl)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C(=O)NC5=C(C(=CC=C5)Cl)C)Cl"
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        },
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        }
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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          ]
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3,3'-{(2-chloro-5-methyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-n-(3-chloro-2-methylphenyl)benzamide]

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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