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Pyridine, 2-methoxy-4-(trifluoromethyl)-

2D structure
Flow Object IDfo-cb0a5954d4525908
TypeConsensus
prefLabel
Label Language
Pyridine, 2-methoxy-4-(trifluoromethyl)- en
Alt Labels
Label Language Provenance
2-methoxy-4-(trifluoromethyl)pyridine en —
CAS Numbers 219715-34-1
EC Numbers 606-870-3
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow0f4cff2f-4227-4660-b98d-697baff65681

Properties

Predicate Value
InChIKey BYGXVIBRFSQTPY-UHFFFAOYSA-N
InChI InChI=1S/C7H6F3NO/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4H,1H3
IUPAC name 2-methoxy-4-(trifluoromethyl)pyridine
Molecular formula C7H6F3NO
Molecular mass 177.125
Monoisotopic mass 177.040148
SMILES COC1=NC=CC(=C1)C(F)(F)F, COc1cc(C(F)(F)F)ccn1

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
867d6d60… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
61a3062f… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
37e0f282… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
c93db1cf… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
19b85553… EF 3.1 kg Environmental → Air → Unknown 2 2
ad4050a8… EF 3.1 kg Environmental → Air → Unknown 2 2
0f4cff2f… EF 3.1 kg Environmental → Ground → Agricultural 2 2
6dc9b86d… EF 3.1 kg Environmental → Ground → Unknown 2 2
5c264566… EF 3.1 kg Environmental → Water → Ocean 2 2
6f12371c… EF 3.1 kg Environmental → Water → Surface water 2 2
416e9471… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0f4cff2f… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
0f4cff2f… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
19b85553… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
19b85553… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
37e0f282… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
37e0f282… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
416e9471… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
416e9471… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
5c264566… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
5c264566… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
61a3062f… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
61a3062f… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
6dc9b86d… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
6dc9b86d… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
6f12371c… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
6f12371c… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
72d5f139… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
72d5f139… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
867d6d60… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
867d6d60… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
93faf7da… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
93faf7da… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
ad4050a8… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
ad4050a8… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}
c93db1cf… altLabel — [{"@value":"Pyridine, 2-methoxy-4-(trifluoromethyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:219715-34-1","https://commonchemistry.cas.org/detail?cas_rn=219715-34-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; cas=219715-34-1; added Common Chemistry CAS names as altLabel: Pyridine, 2-methoxy-4-(trifluoromethyl)-; object_uuid=fo-cb0a5954d4525908
c93db1cf… cas_match_labels — {"219715-34-1":"exactMatch"} group_key=2-methoxy-4-(trifluoromethyl)pyridine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'219715-34-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cb0a5954d4525908: {'219715-34-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-cb0a5954d4525908",
  "prefLabel": [
    {
      "@value": "Pyridine, 2-methoxy-4-(trifluoromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-methoxy-4-(trifluoromethyl)pyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H6F3NO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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        {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BYGXVIBRFSQTPY-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "COC1=NC=CC(=C1)C(F)(F)F",
        "COc1cc(C(F)(F)F)ccn1"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "177.125"
      ],
      "provenance": [
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
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      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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