Consensus flow list

Identity

Type
Neutral molecule
CAS
5598-52-7
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Fospirate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XCBOKUAJQWDYNI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7Cl3NO4P/c1-13-16(12,14-2)15-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
IUPAC name chemrof:IUPAC_name 3,5,6-Trichloro-2-pyridyl dimethyl phosphate
Molecular formula chemrof:molecular_formula C7H7Cl3NO4P
Molecular mass chemrof:molecular_mass 306.469
Monoisotopic mass chemrof:monoisotopic_mass 304.917827
SMILES string chemrof:smiles_string COP(=O)(OC)Oc1nc(Cl)c(Cl)cc1Cl

Known URLs

11

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=5598-52-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.230.558 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6037512 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB20214 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1873189 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7DRC4KN503 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.024A enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D04256 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C167021 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21805 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27268121 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
03f7c0eb-25bb-4940-858b-c992e1511857 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5e791dcc-45df-487f-a686-0969585a1877 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
14d96d09-79d4-4b0b-9c95-998380816dea Environmental → Air → Indoor EF 3.1 kg 2
32bdcf48-5999-4491-9a44-38f42db51032 Environmental → Air → Long-term EF 3.1 kg 0
9627e99b-a8a3-4634-94dd-708167a11642 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
090cfad2-abb8-4f12-acfb-30c39930d266 Environmental → Air → Unknown EF 3.1 kg 2
047b03f9-7907-45d1-99e6-2f9894f9f064 Environmental → Ground → Agricultural EF 3.1 kg 2
d8b2c151-4a16-4cc9-87a1-ea8209651c3a Environmental → Ground → Non-agricultural EF 3.1 kg 2
24f1823a1bba4871da55a83a41140e11b0194c70 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
53c00265-647b-4b81-b209-d103b467806c Environmental → Ground → Unknown EF 3.1 kg 2
b3c3419d-2fc6-4416-85ce-8eed865cd668 Environmental → Water → Long-term EF 3.1 kg 0
7cd7d1b3-fd3a-4a24-a9e7-9657d35fdf6e Environmental → Water → Ocean EF 3.1 kg 2
1bebc581-ca93-47f8-80c1-484315c10907 Environmental → Water → Surface water EF 3.1 kg 2
fcce20c4-00ec-4dc8-b417-0c71f9a1a22f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-66f9c701437eaee8",
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    {
      "@value": "Fospirate",
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  ],
  "altLabel": [
    {
      "@value": "2-Pyridinol, 3,5,6-trichloro-, dimethyl phosphate (ester)",
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    {
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    },
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      "@value": "Chlorpyrifos-methyl oxon",
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    },
    {
      "@value": "Fospirat",
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    },
    {
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    {
      "@value": "O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphate",
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      "@value": "O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphate",
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      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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