Consensus flow list

Identity

Type
Neutral molecule
CAS
117-21-5
EC
204-179-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-chloro-2-benzofuran-1,3-dione

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UERPUZBSSSAZJE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
IUPAC name chemrof:IUPAC_name 4-chloro-2-benzofuran-1,3-dione
Molecular formula chemrof:molecular_formula C8H3ClO3
Molecular mass chemrof:molecular_mass 182.562
Monoisotopic mass chemrof:monoisotopic_mass 181.977072
SMILES string chemrof:smiles_string O=C1OC(=O)c2c(Cl)cccc21

Known URLs

9

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=117-21-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.800 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10151653 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=122937 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VO7NXT0137 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.264G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67014 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q4634121 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Chlorophthalic_anhydride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3778c2cd-0f9d-4eee-a556-11a49d5d9a7f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cd276278-5f07-4036-a4c6-5edb6ba37bc6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c40e84f1-626b-4dfc-ae37-e8e8220ab046 Environmental → Air → Indoor EF 3.1 kg 2
85ab74aa-b3e4-45eb-bda7-4d5fcf3ce1b2 Environmental → Air → Long-term EF 3.1 kg 0
2688d0cb-8d94-45ae-a030-fa74bd814ab1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
abe03e9f-c965-4726-be7c-dbb8837b9c27 Environmental → Air → Unknown EF 3.1 kg 2
e38e898b-0a60-40eb-977b-2fc552bdd1f6 Environmental → Ground → Agricultural EF 3.1 kg 2
1b1ec1d3-1a90-479c-9b4f-089c0c7c2d32 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fdf4d034-1769-4639-9168-a0fb2b50a875 Environmental → Ground → Unknown EF 3.1 kg 2
0d4471e9-16ed-443b-8cef-cecc3e71063f Environmental → Water → Long-term EF 3.1 kg 0
c9d0e47a-49bc-4df1-a82b-c4245a18a154 Environmental → Water → Ocean EF 3.1 kg 2
b3b02062-06ed-4c0a-a27f-2ce81f3b8031 Environmental → Water → Surface water EF 3.1 kg 2
2c556748-5d98-4d0a-8ad8-d8b84de91605 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
{
  "flow_object_id": "fo-dd7c3ac28840eaea",
  "prefLabel": [
    {
      "@value": "4-chloro-2-benzofuran-1,3-dione",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Isobenzofurandione, 4-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=117-21-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chlorophthalic acid anhydride",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "3-Chlorophthalic anhydride",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "4-Chloro-1,3-isobenzofurandione",
      "@language": "en",
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      }
    },
    {
      "@value": "4-Chloroisobenzofuran-1,3-dione",
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    },
    {
      "@value": "Phthalic anhydride, 3-chloro-",
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}

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