Consensus flow list

Identity

Type
Neutral molecule
CAS
118-45-6
EC
204-251-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5-chloro-2-benzofuran-1,3-dione

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BTTRMCQEPDPCPA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
IUPAC name chemrof:IUPAC_name 5-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)c2cc(Cl)ccc21

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=118-45-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.866 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30151993 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BPI93D0O61 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.265E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67044 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q4637112 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Chlorophthalic_anhydride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
516ab6f4-d51e-44b1-9216-1227c37d36c5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
95a20565-a223-4c67-b28c-2c3957f6bd12 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4152106f-c751-4a60-9fde-2e89b798bc43 Environmental → Air → Indoor EF 3.1 kg 4
091cfc18-4278-4429-b5ed-952740a407fa Environmental → Air → Long-term EF 3.1 kg 0
312527f1-e52f-4a08-b5ed-5083189460b9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e047e263-319f-4700-9ead-27ebea6ae376 Environmental → Air → Unknown EF 3.1 kg 4
f563d6be-3c72-4b12-9944-96a86512321a Environmental → Ground → Agricultural EF 3.1 kg 4
7ec37cc1-6d59-4065-a33d-25feaf0505aa Environmental → Ground → Non-agricultural EF 3.1 kg 4
9943ed37-05e1-4681-a10c-447e72c5dd52 Environmental → Ground → Unknown EF 3.1 kg 4
a92cd7d2-1db1-4716-9b3e-bd1d00c93b2f Environmental → Water → Long-term EF 3.1 kg 0
c8e3f050-2810-449f-ae08-a54a63653244 Environmental → Water → Ocean EF 3.1 kg 4
a2b1a0f1-0f6a-4e9e-a264-8e0957ab66b7 Environmental → Water → Surface water EF 3.1 kg 4
102f33b2-e3ee-45fb-a39e-aa9e2a3df4a5 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
{
  "flow_object_id": "fo-61303ac8bda96729",
  "prefLabel": [
    {
      "@value": "5-chloro-2-benzofuran-1,3-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Isobenzofurandione, 5-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:118-45-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-45-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorophthalic acid anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=118-45-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorophthalic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=118-45-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloro-1,3-isobenzofurandione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloroisobenzofuran-1,3-dione",
      "@language": "en",
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        ],
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    },
    {
      "@value": "p-Chlorophthalic anhydride",
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    },
    {
      "@value": "Phthalic anhydride, 4-chloro-",
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  "properties": {
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}

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