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

3,3′-[(2,5-Dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(5-chloro-2-methylphenyl)benzamide]
Benzamide, 3,3′-[(2,5-dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(5-chloro-2-methylphenyl)-
Benzamide, 3,3′-[(2,5-dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(5-chloro-2-methylphenyl)-
C.I. Pigment Yellow 95
Cromophtal Yellow GF
Cromophtal Yellow GR
Cromophtal Yellow GR-P
Cromophtal Yellow K 1500
Cromophtal Yellow K 1500FP
Microlen Yellow GR-MC
o-Benzotoluidide, 3,3′′-[(2,5-dimethyl-p-phenylene)bis(iminocarbonylacetonylideneazo)]bis[4,5′-dichloro-
Pigment Yellow 95

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MLIPLRICHBJSFY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C44H38Cl4N8O6/c1-21-7-11-29(45)19-35(21)49-41(59)27-9-13-31(47)37(17-27)53-55-39(25(5)57)43(61)51-33-15-24(4)34(16-23(33)3)52-44(62)40(26(6)58)56-54-38-18-28(10-14-32(38)48)42(60)50-36-20-30(46)12-8-22(36)2/h7-20,39-40H,1-6H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)
IUPAC name chemrof:IUPAC_name	3,3′-[(2,5-Dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(5-chloro-2-methylphenyl)benzamide]
Molecular formula chemrof:molecular_formula	C44H38Cl4N8O6
Molecular mass chemrof:molecular_mass	916.65
Monoisotopic mass chemrof:monoisotopic_mass	914.166842
SMILES string chemrof:smiles_string	CC(=O)C(N=Nc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1Cl)C(=O)Nc1cc(C)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cc(Cl)ccc3C)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=5280-80-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.023.735	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6052166	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X30SB333IU	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J298.473C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/110639	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126609980	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27293487	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
15c70939-97f0-4f4e-bba8-a2fe699de48e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
e2bc408f-374a-4b3f-9a19-41567abba2fc	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
88911182-8339-4036-abef-f26e66b79503	Environmental → Air → Indoor	EF 3.1	kg	4
934625e3-e59b-477e-9d8b-c548bb1fade9	Environmental → Air → Long-term	EF 3.1	kg	0
ea429f96-69ac-4ea5-b301-3dcb669b88fb	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
1c75cffe-4228-414e-bffa-063d70041597	Environmental → Air → Unknown	EF 3.1	kg	4
f401fce5-ae05-4226-ba08-e9213584dad8	Environmental → Ground → Agricultural	EF 3.1	kg	4
74fa54bf-3805-4185-9c38-b86c7788b374	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
2ef61206-40a1-4381-9bb4-e57c30de6d2b	Environmental → Ground → Unknown	EF 3.1	kg	4
68454335-b7af-40fe-bc95-26fd426d2d7d	Environmental → Water → Long-term	EF 3.1	kg	0
9da34842-c4d2-4509-915b-074962ba239d	Environmental → Water → Ocean	EF 3.1	kg	4
10a1ba64-1ad9-4e95-806e-0e7357d69148	Environmental → Water → Surface water	EF 3.1	kg	4
710d7653-865f-4dd3-ad1e-1f969854a192	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-00ce9498ee2a3be3",
  "prefLabel": [
    {
      "@value": "3,3'-{(2,5-dimethyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-n-(5-chloro-2-methylphenyl)benzamide]",
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      "@value": "Benzamide, 3,3′-[(2,5-dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(5-chloro-2-methylphenyl)-",
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    {
      "@value": "Benzamide, 3,3′-[(2,5-dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-N-(5-chloro-2-methylphenyl)-",
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      "@value": "C.I. Pigment Yellow 95",
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    {
      "@value": "Cromophtal Yellow GF",
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    },
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    },
    {
      "@value": "Cromophtal Yellow GR-P",
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    },
    {
      "@value": "Cromophtal Yellow K 1500",
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    },
    {
      "@value": "Microlen Yellow GR-MC",
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    {
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      "@value": "Pigment Yellow 95",
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      ],
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          ]
        }
      ]
    },
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      "rdfs:label": "SMILES",
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        "CC(=O)C(N=Nc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1Cl)C(=O)Nc1cc(C)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)C(C)=O)cc1C"
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    "https://w3id.org/chemrof/molecular_mass": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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3,3'-{(2,5-dimethyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-n-(5-chloro-2-methylphenyl)benzamide]

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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