Consensus flow list

Identity

Type
Neutral molecule
CAS
1861-32-1
EC
217-464-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Dacthal

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NPOJQCVWMSKXDN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3
IUPAC name chemrof:IUPAC_name Dimethyl 2,3,5,6-tetrachloroterephthalate
Molecular formula chemrof:molecular_formula C10H6Cl4O4
Molecular mass chemrof:molecular_mass 331.966
Monoisotopic mass chemrof:monoisotopic_mass 329.902019, 329.90202
SMILES string chemrof:smiles_string COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl

Known URLs

15

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=1861-32-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34664 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.877 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0024000 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=155745 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1888079 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZU3X5G2QLR enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250144 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.785J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14744 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14744 enrich_references.pubchem_identifier_url
ppdb ppdb:157 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2943 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5277322 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dimethyl_tetrachloroterephthalate enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
1f30d65f-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9871-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
69248503-25f4-4eb2-987a-7108a236d9cf Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9870-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9872-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-986f-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-986d-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9876-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1ecb688703d9eff8069a6803ddae64b13941b398 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-986e-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9874-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9877-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9873-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9875-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8016443146f95296",
  "prefLabel": [
    {
      "@value": "Dacthal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:1861-32-1",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester",
      "@language": "en",
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      }
    },
    {
      "@value": "Cepos",
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        ],
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      }
    },
    {
      "@value": "Chlorthal dimethyl ester",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorthal-dimethyl",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Chlorthal-methyl",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DCPA (herbicide)",
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    },
    {
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    },
    {
      "@value": "Dimethyl tetrachloroterephthalate",
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        ],
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      }
    },
    {
      "@value": "Dimethyltetrachloroterephthalate",
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    {
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      }
    },
    {
      "@value": "Terephthalic acid, tetrachloro-, dimethyl ester",
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      }
    },
    {
      "@value": "Tetrachloroterephthalic acid dimethyl ester",
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      }
    },
    {
      "@value": "Tetral",
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  ],
  "properties": {
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        "C10H6Cl4O4"
      ],
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        "C10H6Cl4O4": [
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        "COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl"
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      "@value": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
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    },
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    },
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      "@value": [
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      ],
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      },
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  },
  "references": [
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    },
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