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Ethyl p-nitrophenyl benzenethiophosphonate

UUID 08a91e70-3ddc-11dd-9fc2-0050c2490048
Flow Object IDfo-34e0c5242a83eb7b
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 2104-64-5
EC Numbers 218-276-8
prefLabel
Language Value Provenance
en Ethyl p-nitrophenyl benzenethiophosphonate
altLabel
Language Value Provenance
en EPN
en O-ethyl O-(4-nitrophenyl) phenylphosphonothioate
en O-ethyl O-(4-nitrophenyl)phenylphosphonothioate
en O-ethyl O-(p-nitrophenyl) phenylphosphonothioate
en O-ethyl O-p-nitrophenyl phenylphosphonothioate
en O-ethyl phenylphosphonothioic acid O-(4-nitrophenyl) ester
en ethyl p-nitrophenyl benzenethionophosphonate
en <em>O</em>-Ethyl <em>O</em>-(4-nitrophenyl) benzenethionophosphonate
en <em>O</em>-Ethyl <em>O</em>-(4-nitrophenyl) phenylphosphonothioate
en <em>O</em>-Ethyl <em>O</em>-(<em>p</em>-nitrophenyl) phenylphosphonothioate
en <em>O</em>-Ethyl <em>O</em>-<em>p</em>-nitrophenyl benzenethiophosphonate
en EPN 300
en NSC 404840
en NSC 8943
en Phosphonothioic acid, <em>P</em>-phenyl-, <em>O</em>-ethyl <em>O</em>-(4-nitrophenyl) ester
en Phosphonothioic acid, phenyl-, <em>O</em>-ethyl <em>O</em>-(4-nitrophenyl) ester
en Phosphonothioic acid, phenyl-, <em>O</em>-ethyl <em>O</em>-(<em>p</em>-nitrophenyl) ester
en Phosphonothioic acid, phenyl-, ethyl <em>p</em>-nitrophenyl ester
en Santox
en Ethyl O-(p-nitrophenyl) Phenylphosphonothionate
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey AIGRXSNSLVJMEA-UHFFFAOYSA-N
InChI InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
IUPAC name ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane, ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane, ethoxy-(4-nitrophenoxy)-phenyl-thioxo-lambda5-phosphane, ethoxy-(4-nitrophenoxy)-phenyl-thioxo-phosphorane
Molecular formula C14H14NO4PS
Molecular mass 323.31
Monoisotopic mass 323.03812
SMILES CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-], CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-9fc2-0050c2490048 ethyl o-(p-nitrophenyl) phenylphosphonothionate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ethyl o-(p-nitrophenyl) phenylphosphonothionate Emissions/Emissions to water/Emissions to sea water kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=ethylo-(p-nitrophenyl)phenylphosphonothionate||dimension=Environmental > media=Ground > geography=Agricultural; cas=2104-64-5; added Common Chemistry CAS names as altLabel: <em>O</em>-Ethyl <em>O</em>-(4-nitrophenyl) benzenethionophosphonate, <em>O</em>-Ethyl <em>O</em>-(4-nitrophenyl) phenylphosphonothioate, <em>O</em>-Ethyl <em>O</em>-(<em>p</em>-nitrophenyl) phenylphosphonothioate, <em>O</em>-Ethyl <em>O</em>-<em>p</em>-nitrophenyl benzenethiophosphonate, EPN 300, NSC 404840, NSC 8943, Phosphonothioic acid, <em>P</em>-phenyl-, <em>O</em>-ethyl <em>O</em>-(4-nitrophenyl) ester, Phosphonothioic acid, phenyl-, <em>O</em>-ethyl <em>O</em>-(4-nitrophenyl) ester, Phosphonothioic acid, phenyl-, <em>O</em>-ethyl <em>O</em>-(<em>p</em>-nitrophenyl) ester, Phosphonothioic acid, phenyl-, ethyl <em>p</em>-nitrophenyl ester, Santox; object_uuid=fo-34e0c5242a83eb7b
cas_match_labels 1 consensus_match group_key=ethylo-(p-nitrophenyl)phenylphosphonothionate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory']; cas_sources={'2104-64-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-34e0c5242a83eb7b: {'2104-64-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'EPN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EPN', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl O-(4-nitrophenyl) phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl O-(4-nitrophenyl) phenylphosphonothioate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl O-(4-nitrophenyl)phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl O-(4-nitrophenyl)phenylphosphonothioate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl O-(p-nitrophenyl) phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl O-(p-nitrophenyl) phenylphosphonothioate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl O-p-nitrophenyl phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl O-p-nitrophenyl phenylphosphonothioate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl phenylphosphonothioic acid O-(4-nitrophenyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl phenylphosphonothioic acid O-(4-nitrophenyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl p-nitrophenyl benzenethionophosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl p-nitrophenyl benzenethionophosphonate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'EPN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EPN', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl O-(4-nitrophenyl) phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl O-(4-nitrophenyl) phenylphosphonothioate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl O-(4-nitrophenyl)phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl O-(4-nitrophenyl)phenylphosphonothioate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl O-(p-nitrophenyl) phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl O-(p-nitrophenyl) phenylphosphonothioate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl O-p-nitrophenyl phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl O-p-nitrophenyl phenylphosphonothioate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-ethyl phenylphosphonothioic acid O-(4-nitrophenyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-ethyl phenylphosphonothioic acid O-(4-nitrophenyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl p-nitrophenyl benzenethionophosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl p-nitrophenyl benzenethionophosphonate', 'http://purl.obolibrary.org/obo/CHEBI_34733', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '<em>O</em>-Ethyl <em>O</em>-(4-nitrophenyl) benzenethionophosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>-Ethyl <em>O</em>-(4-nitrophenyl) phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>-Ethyl <em>O</em>-(<em>p</em>-nitrophenyl) phenylphosphonothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>-Ethyl <em>O</em>-<em>p</em>-nitrophenyl benzenethiophosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'EPN 300', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 404840', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8943', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonothioic acid, <em>P</em>-phenyl-, <em>O</em>-ethyl <em>O</em>-(4-nitrophenyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonothioic acid, phenyl-, <em>O</em>-ethyl <em>O</em>-(4-nitrophenyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonothioic acid, phenyl-, <em>O</em>-ethyl <em>O</em>-(<em>p</em>-nitrophenyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonothioic acid, phenyl-, ethyl <em>p</em>-nitrophenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Santox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2104-64-5', 'https://commonchemistry.cas.org/detail?cas_rn=2104-64-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ethylo-(p-nitrophenyl)phenylphosphonothionate||dimension=Environmental > media=Ground > geography=Agricultural; cas=2104-64-5; added Common Chemistry CAS names as altLabel: <em>O</em>-Ethyl <em>O</em>-(4-nitrophenyl) benzenethionophosphonate, <em>O</em>-Ethyl <em>O</em>-(4-nitrophenyl) phenylphosphonothioate, <em>O</em>-Ethyl <em>O</em>-(<em>p</em>-nitrophenyl) phenylphosphonothioate, <em>O</em>-Ethyl <em>O</em>-<em>p</em>-nitrophenyl benzenethiophosphonate, EPN 300, NSC 404840, NSC 8943, Phosphonothioic acid, <em>P</em>-phenyl-, <em>O</em>-ethyl <em>O</em>-(4-nitrophenyl) ester, Phosphonothioic acid, phenyl-, <em>O</em>-ethyl <em>O</em>-(4-nitrophenyl) ester, Phosphonothioic acid, phenyl-, <em>O</em>-ethyl <em>O</em>-(<em>p</em>-nitrophenyl) ester, Phosphonothioic acid, phenyl-, ethyl <em>p</em>-nitrophenyl ester, Santox; object_uuid=fo-34e0c5242a83eb7b
cas_match_labels None {'2104-64-5': 'exactMatch'} group_key=ethylo-(p-nitrophenyl)phenylphosphonothionate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory']; cas_sources={'2104-64-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-34e0c5242a83eb7b: {'2104-64-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
    "2104-64-5"
  ],
  "ec_numbers": [
    "218-276-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 15.748
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.00025505
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.00025505
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 15.748
    }
  ],
  "source": "EF 3.1",
  "identifier": "08a91e70-3ddc-11dd-9fc2-0050c2490048",
  "input_datasets": [
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      "source_flow_name": "ethyl o-(p-nitrophenyl) phenylphosphonothionate",
      "source_metadata": {
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        "original_context": [
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          "Emissions to water",
          "Emissions to sea water"
        ]
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    }
  ],
  "prefLabel": [
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    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
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    "properties": "enrich_references",
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  "properties": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
      "provenance": [
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      "rdfs:label": "InChI",
      "provenance": [
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    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "323.31"
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      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
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