Consensus flow list

Identity

Type
Neutral molecule
CAS
4151-51-3
EC
223-981-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for O,o,o-tris-(4-isocyanatophenyl) Thiophosphate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KGLSETWPYVUTQX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H
IUPAC name chemrof:IUPAC_name Phosphorothioic acid, O,O,O-tris(p-isocyanatophenyl) ester
Molecular formula chemrof:molecular_formula C21H12N3O6PS
Molecular mass chemrof:molecular_mass 465.383
Monoisotopic mass chemrof:monoisotopic_mass 465.018443
SMILES string chemrof:smiles_string O=C=Nc1ccc(OP(=S)(Oc2ccc(N=C=O)cc2)Oc2ccc(N=C=O)cc2)cc1

Known URLs

7

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=4151-51-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.802 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9063320 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0G637UP5EY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J224.954E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77798 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236742 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
326f7f78-0354-497a-8f4d-0ecf81585926 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
50d2f7eb-431e-4d31-b8d4-f29a5c7bbf3c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2e6ea108-c221-4464-ba16-65ca6cce110d Environmental → Air → Indoor EF 3.1 kg 4
91fe6a19-82d2-4502-825f-6621ff68f1f3 Environmental → Air → Long-term EF 3.1 kg 0
98907c9d-01d5-4894-b8ae-3d1bc94963a5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
02900de9-1961-404d-8277-995924c1b54b Environmental → Air → Unknown EF 3.1 kg 4
3568b696-22af-4e40-9234-23f9084a9dad Environmental → Ground → Agricultural EF 3.1 kg 4
5cce16b4-67fd-4d03-8a09-00fd755e361d Environmental → Ground → Non-agricultural EF 3.1 kg 4
7eb9621b-3f01-4367-a5be-d66746cb8143 Environmental → Ground → Unknown EF 3.1 kg 4
94721b61-8c63-47ea-8901-02fda872dea9 Environmental → Water → Long-term EF 3.1 kg 0
24179b89-edfa-4ecc-a3fb-864eeed569aa Environmental → Water → Ocean EF 3.1 kg 4
eada0244-6361-41fe-9c00-ff7d9596c8de Environmental → Water → Surface water EF 3.1 kg 4
85f5f883-c351-4957-80e8-50a30674cfba Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c6cd4eea93ba4e4a",
  "prefLabel": [
    {
      "@value": "O,o,o-tris-(4-isocyanatophenyl) Thiophosphate",
      "@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": "Isocyanic acid, p-hydroxyphenyl ester, phosphorothioate (3:1) (ester)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4151-51-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4151-51-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
          "CAS:4151-51-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4151-51-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4151-51-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, p-isocyanato-, phosphorothioate (3:1) (ester)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4151-51-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, O,O,O-tris(p-isocyanatophenyl) ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4151-51-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiophosphoric acid tris(p-isocyanatophenyl ester)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4151-51-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tri(4-phenyl isocyanate) thiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=4151-51-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(4-isocyanatophenyl) thiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(p-isocyanatophenyl) monosulfophosphate",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Tris(p-isocyanatophenyl) thiophosphate",
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  "properties": {
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        {
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    },
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "attested_by": {
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}

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