Consensus flow list

Identity

Type
Neutral molecule
CAS
85-41-6
EC
201-603-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phthalimide

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XKJCHHZQLQNZHY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
IUPAC name chemrof:IUPAC_name Phthalimide
Molecular formula chemrof:molecular_formula C8H5NO2
Molecular mass chemrof:molecular_mass 147.133
Monoisotopic mass chemrof:monoisotopic_mass 147.032028, 147.03203
SMILES string chemrof:smiles_string O=C1NC(=O)c2ccccc21

Known URLs

18

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=223537-84-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=85-41-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38817 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.458 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3026514 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3108 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL277294 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1J6PQ7YI80 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256502 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.918B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56017 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6809 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018408 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16610900 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24171082 enrich_references.chebi_xrefs
reaxys reaxys:118522 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q412784 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phthalimide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
2a8eb5cf-65b9-4702-9d2b-07a3c52bfb25 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7c890024-18d8-48f2-ac78-98cdac88a300 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7fd869e2-a31c-4b16-b045-a9066ed259d6 Environmental → Air → Indoor EF 3.1 kg 4
d60528af-10fd-4b58-b503-048ea53507ce Environmental → Air → Long-term EF 3.1 kg 0
30b1cb4e-7813-4960-96df-d022060c31d3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2c2ec625-ffe6-49cc-8ac9-66885f0774bf Environmental → Air → Unknown EF 3.1 kg 4
dee0d459-f470-4397-9af1-e102d31cbf00 Environmental → Ground → Agricultural EF 3.1 kg 4
8535383a-6cb3-4445-b613-85441ae348df Environmental → Ground → Non-agricultural EF 3.1 kg 4
4fce4be4-204e-40c5-9139-62b03982ad5e Environmental → Ground → Unknown EF 3.1 kg 4
3b440ea4-2892-4c53-8a3f-c24d1ce78d36 Environmental → Water → Long-term EF 3.1 kg 0
7417c519-bfd9-424a-ba90-4a182874e072 Environmental → Water → Ocean EF 3.1 kg 4
42718b77-e1b1-4b72-a3a0-4c6c96dc51f3 Environmental → Water → Surface water EF 3.1 kg 4
529654e8-24e7-4f49-8408-cff049d83a30 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-85a2b506474ad8f7",
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    {
      "@value": "Phthalimide",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboximide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "1,3-Dihydro-2H-isoindole-1,3-dione",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Dioxo-1,3-dihydroisoindole",
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      "provenance": {
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      }
    },
    {
      "@value": "1,3-Isoindolinedione",
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    {
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    {
      "@value": "2-Diazoindan-1,3-dione",
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    },
    {
      "@value": "o-Phthalic imide",
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