Consensus flow list

Identity

Type
NeutralMolecule
CAS
81-83-4
EC
201-379-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1h-benzo[de]isoquinoline-1,3(2h)-dione

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XJHABGPPCLHLLV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
IUPAC name chemrof:IUPAC_name 1h-benzo[de]isoquinoline-1,3(2h)-dione
Molecular formula chemrof:molecular_formula C12H7NO2
Molecular mass chemrof:molecular_mass 197.193
Monoisotopic mass chemrof:monoisotopic_mass 197.047678
SMILES string chemrof:smiles_string O=C1NC(=O)c2cccc3cccc1c23

Known URLs

10

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=81-83-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.255 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044731 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=11011 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL339586 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GI0TV19GBN enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244249 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.863F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66491 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27279115 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c2a75618-b5ce-48ba-a61d-ae21cf51b627 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a0981f5d-e4ea-4b29-89a6-234761af0760 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
edbff0f6-a04d-4fcf-a144-9e6ffe03aca7 Environmental → Air → Indoor EF 3.1 kg 2
d4e81ec2-7eec-4a8a-a24f-ddede6ade30f Environmental → Air → Long-term EF 3.1 kg 0
37fa07a7-64af-42a3-a183-b4273efb08d0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a5291c9f-f3e8-4756-a433-7967248add16 Environmental → Air → Unknown EF 3.1 kg 2
2741c6d6-653c-44ef-ac43-4915144a846a Environmental → Ground → Agricultural EF 3.1 kg 2
1002b233-9b22-4ffb-88d0-53c8ed7dff19 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a6746977-40d5-4180-86f0-e530e533a7b2 Environmental → Ground → Unknown EF 3.1 kg 2
823b0fe3-c14a-42b1-b7d3-c55e27d6e090 Environmental → Water → Long-term EF 3.1 kg 0
d8a7480c-c0df-4b52-b0e4-3f55f07a021f Environmental → Water → Ocean EF 3.1 kg 2
ab482fd4-40eb-429a-a352-ac5bf3dcd727 Environmental → Water → Surface water EF 3.1 kg 2
596b7db5-2fbf-4250-8140-06434d486747 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "1,8-Naphthalenedicarboximide",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "1,8-Naphthalenedicarboxylic acid imide",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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}

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