Consensus flow list

4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1h-inden-2-yl)quinolin-8-yl]-1h-isoindole-1,3(2h)-dione

fo-5019acd97cf6969a

Identity

Type
Neutral molecule
CAS
30125-47-4
EC
250-063-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1h-inden-2-yl)quinolin-8-yl]-1h-isoindole-1,3(2h)-dione

Alternative labels

29

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZEHOVWPIGREOPO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H6Cl8N2O4/c27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29/h1-5,9H
IUPAC name chemrof:IUPAC_name 4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1h-inden-2-yl)quinolin-8-yl]-1h-isoindole-1,3(2h)-dione
Molecular formula chemrof:molecular_formula C26H6Cl8N2O4
Molecular mass chemrof:molecular_mass 693.968
Monoisotopic mass chemrof:monoisotopic_mass 689.783578
SMILES string chemrof:smiles_string O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)C1c1ccc2cccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2n1

Known URLs

8

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=30125-47-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.497 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.126.574 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2067539 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CX2Y91T7FY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J249.928B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5463973 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26705718 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d8808b94-9816-4517-85e0-ce4fe561e469 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b479765e-e50f-4340-8ab9-18c24c7c6ea3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cf80f795-14b7-45f0-b6cc-ec95489787cb Environmental → Air → Indoor EF 3.1 kg 4
4e4361bd-dc67-4c6f-92df-dc13c50bec60 Environmental → Air → Long-term EF 3.1 kg 0
f5832296-753b-4f46-af6f-a0b73e512c84 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9b4cd5b7-fd97-453a-b9bc-13f962b7fe11 Environmental → Air → Unknown EF 3.1 kg 4
3b1527f6-7d10-4781-84f8-75c27b76e8d4 Environmental → Ground → Agricultural EF 3.1 kg 4
471efc3b-e48f-424d-ac9a-92a22f225100 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9c4d7fd8-6748-44a1-b15a-e4fbae07baff Environmental → Ground → Unknown EF 3.1 kg 4
1f228f08-950f-4f23-9db7-c4091fcce697 Environmental → Water → Long-term EF 3.1 kg 0
55b7bef1-c5a7-4c39-bc5d-3b61cdd20100 Environmental → Water → Ocean EF 3.1 kg 4
466b87da-4291-4ef8-a3c3-6c21f97e7f1b Environmental → Water → Surface water EF 3.1 kg 4
0541c45b-27f9-4209-9d43-cc846f6e59eb Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1h-inden-2-yl)quinolin-8-yl]-1h-isoindole-1,3(2h)-dione",
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  "altLabel": [
    {
      "@value": "1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-8-quinolinyl]-",
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}

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