3,3'-{(2,5-dichloro-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-Dichloro-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-dichloro-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-dichloro-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 94
Cromophtal Yellow 66
Cromophtal Yellow 6G
o-Benzotoluidide, 3,3′′-[(2,5-dichloro-p-phenylene)bis(iminocarbonylacetonylideneazo)]bis[4,5′-dichloro-
Pigment Yellow 94

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ADHAFJLXGIAZAN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C42H32Cl6N8O6/c1-19-5-9-25(43)15-31(19)49-39(59)23-7-11-27(45)35(13-23)53-55-37(21(3)57)41(61)51-33-17-30(48)34(18-29(33)47)52-42(62)38(22(4)58)56-54-36-14-24(8-12-28(36)46)40(60)50-32-16-26(44)10-6-20(32)2/h5-18,37-38H,1-4H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)
IUPAC name chemrof:IUPAC_name	3,3′-[(2,5-Dichloro-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	C42H32Cl6N8O6
Molecular mass chemrof:molecular_mass	957.486
Monoisotopic mass chemrof:monoisotopic_mass	954.057597
SMILES string chemrof:smiles_string	CC(=O)C(N=Nc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1Cl)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)C(C)=O)cc1Cl

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=5580-58-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.024.520	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID30884173	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/84429J378S	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J225.034I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/110675	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q126609985	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27269477	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
22f451b3-0a22-42a4-893d-36fc61686802	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
95b1b021-aacf-424a-946b-626a80bf89bc	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
af963303-2bb4-41de-b444-0069c7660eaa	Environmental → Air → Indoor	EF 3.1	kg	4
b3ec6857-d341-4305-b770-75064cdc1a08	Environmental → Air → Long-term	EF 3.1	kg	0
dfd8726b-22db-444a-a8e6-18c28ce4ef6b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
1d4b558b-2aaa-448e-b9a6-37fe36d778fb	Environmental → Air → Unknown	EF 3.1	kg	4
4be8416f-3233-4c9d-b332-c5baa3f95e8a	Environmental → Ground → Agricultural	EF 3.1	kg	4
469df13b-6497-4527-8b99-2f159c6f7a1c	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
48744922-7ce0-416e-b119-5e4191663d30	Environmental → Ground → Unknown	EF 3.1	kg	4
38386a33-bcf4-4d51-b938-b3203f521de8	Environmental → Water → Long-term	EF 3.1	kg	0
c589e69b-05d4-41aa-84e1-8a4204376b2c	Environmental → Water → Ocean	EF 3.1	kg	4
554016e7-9df1-4576-8716-9c0508975ea3	Environmental → Water → Surface water	EF 3.1	kg	4
51f2d90e-069a-4296-8447-1027a779d423	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-36a7d8e4b83b341a",
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      "@value": "3,3'-{(2,5-dichloro-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-dichloro-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 94",
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  "properties": {
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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

3,3'-{(2,5-dichloro-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

History

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