Consensus flow list

Identity

Type
Neutral molecule
CAS
2463-84-5
EC
623-752-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dicapthon

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OTKXWJHPGBRXCR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3
IUPAC name chemrof:IUPAC_name O,O-Dimethyl O-2-chloro-4-nitrophenyl phosphorothioate
Molecular formula chemrof:molecular_formula C8H9ClNO5PS
Molecular mass chemrof:molecular_mass 297.656
Monoisotopic mass chemrof:monoisotopic_mass 296.962758
SMILES string chemrof:smiles_string COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl

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=2463-84-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.152.403 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0041850 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL160555 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6RQZ0Q90M7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.187E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17168 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27265392 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
499627c6-a1d3-44c7-8120-bf14140c9c12 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8b3169d5-329e-4096-b6ce-0f24cc8ac73f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0b3dbaaa-9c67-446f-8d3e-c710e0895379 Environmental → Air → Indoor EF 3.1 kg 2
ea621f6d-63fc-4218-a708-7f6d240a885b Environmental → Air → Long-term EF 3.1 kg 0
7251a886-ed8b-4044-9467-e10ac7cb7285 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3acfd5f4-4ef6-4440-bfc7-08bef262aa36 Environmental → Air → Unknown EF 3.1 kg 2
741d8a84-4858-4454-a672-f252656756c7 Environmental → Ground → Agricultural EF 3.1 kg 2
636265ee-98bb-4f31-9c88-2452dc6fe9d6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e66ac88f-3ad3-4d4a-b7bb-fa976b03a1ef Environmental → Ground → Unknown EF 3.1 kg 2
61be11e7-eae0-4729-86ef-dbc651b1fa9c Environmental → Water → Long-term EF 3.1 kg 0
5f50dcd8-5d84-4059-b936-8c172096da9c Environmental → Water → Ocean EF 3.1 kg 2
652f116f-8989-4167-b8c6-0e3175503fc9 Environmental → Water → Surface water EF 3.1 kg 2
50ea433e-f77b-4904-8f41-d81d06387d72 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4cf069920819f61a",
  "prefLabel": [
    {
      "@value": "Dicapthon",
      "@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": "Di-Captan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dicapthion",
      "@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": "ENT 17,035",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Insecticide ACC 4124",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isochlorthion",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "O,O-Dimethyl O-2-chloro-4-nitrophenyl phosphorothioate",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "O-(2-Chloro-4-nitrophenyl) O,O-dimethyl phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "p-Nitro-o-chlorophenyl dimethyl thionophosphate",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Phosphorothioic acid, O-(2-chloro-4-nitrophenyl) O,O-dimethyl ester",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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}

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