Mixture Of Octachloro, Monomethoxy-heptachloro And Bismethoxy-hexachloro Derivatives Of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]

Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with p-phenylenediamine and sodium methoxide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CEQVQDVYGIXVPG-UHFFFAOYSA-N, QRFIXNBFUBOBTH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C22H6Cl8N4O2/c23-11-7-9(13(25)17(29)15(11)27)21(35)33-19(7)31-5-1-2-6(4-3-5)32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24/h1-4H,(H,31,33,35)(H,32,34,36), InChI=1S/C9H3Cl4NO2.C6H8N2.CH3O.Na/c1-16-9(15)4-3(2-14)5(10)7(12)8(13)6(4)11;7-5-1-2-6(8)4-3-5;1-2;/h1H3;1-4H,7-8H2;1H3;/q;;-1;+1
IUPAC name chemrof:IUPAC_name	4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-keto-isoindolin-1-ylidene)amino]phenyl]imino-isoindolin-1-one, 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-1-isoindolylidene)amino]phenyl]imino-1-isoindolone, 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]imino-isoindolin-1-one, 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one, 4,5,6,7-tetrakis(chloranyl)-3-[4-[[4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-isoindol-1-ylidene]amino]phenyl]imino-isoindol-1-one, sodium;benzene-1,4-diamine;methanolate;2,3,4,5-tetrachloro-6-cyanobenzoic acid methyl ester, sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyano-benzoate, sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate, sodium;benzene-1,4-diamine;methanolate;methyl 2,3,4,5-tetrakis(chloranyl)-6-cyano-benzoate, sodium;methanolate;p-phenylenediamine;2,3,4,5-tetrachloro-6-cyano-benzoic acid methyl ester
Molecular formula chemrof:molecular_formula	C16H14Cl4N3NaO3, C22H6Cl8N4O2
SMILES string chemrof:smiles_string	C1=CC(=CC=C1N=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)N2)N=C4C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)N4, C[O-].COC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N.C1=CC(=CC=C1N)N.[Na+]

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=106276-80-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.024.545	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4052219	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/64U4JIR8EM	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.958H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/135481899	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/23674311	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q26705974	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
5a361af8-e720-4c65-9a6b-b98c975f2d1f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
99fde9ca-215b-42ab-b4d6-1874f9ebd0bb	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
5f047995-aaba-493c-850f-6407aff01655	Environmental → Air → Indoor	EF 3.1	kg	4
4242c22e-2212-4421-91cf-1dcd8eb5dcd3	Environmental → Air → Long-term	EF 3.1	kg	0
2e651da9-dee0-49a8-95f5-c2f37c9fdca5	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
c1460d74-40d8-477d-8239-7aad5a4000f2	Environmental → Air → Unknown	EF 3.1	kg	4
fa28e08d-a389-4e93-bc78-81d92ed3de43	Environmental → Ground → Agricultural	EF 3.1	kg	4
5783f4cf-c831-4701-ab56-6e87da403707	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
4413637b-51bd-4164-9b16-d3b733ed0c44	Environmental → Ground → Unknown	EF 3.1	kg	4
8560c982-2d35-4014-8068-b26d976ee084	Environmental → Water → Long-term	EF 3.1	kg	0
0dd24f52-55bd-45d0-9218-37df9de233e7	Environmental → Water → Ocean	EF 3.1	kg	4
7233e870-d9ef-4ef2-8655-23501f53038f	Environmental → Water → Surface water	EF 3.1	kg	4
20d60a89-fa5a-46e5-be51-fa3a31d8c248	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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      "@value": "Mixture Of Octachloro, Monomethoxy-heptachloro And Bismethoxy-hexachloro Derivatives Of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]",
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        "4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-1-isoindolylidene)amino]phenyl]imino-1-isoindolone",
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Mixture Of Octachloro, Monomethoxy-heptachloro And Bismethoxy-hexachloro Derivatives Of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1h-isoindol-1-one]

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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