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Benzene, 1-methyl-3-(4-nitrophenyl)-

Flow Object IDfo-9fe9bbad9ca44a6b
TypeConsensus
prefLabel
Label Language
Benzene, 1-methyl-3-(4-nitrophenyl)- en
Alt Labels
Label Language Provenance
3-me-4'-no2-diphenyl Ether en —
CAS Numbers2303-25-5
Changes Applied13

Properties

Predicate Value
InChIKey DLKBRTKDSDXWNA-UHFFFAOYSA-N
InChI InChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3
IUPAC name 1-methyl-3-(4-nitrophenoxy)benzene
Molecular formula C13H11NO3
SMILES CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
f006e0c8… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 1
5a29ded5… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
e0be1e6d… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 1
0a10b734… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 1
31e2fa48… EF 3.1 kg Environmental → Air → Unknown 2 1
aabc34e0… EF 3.1 kg Environmental → Air → Unknown 2 1
d9e9d3cb… EF 3.1 kg Environmental → Ground → Agricultural 2 1
d8bb49f8… EF 3.1 kg Environmental → Ground → Unknown 2 1
6a3fc6a9… EF 3.1 kg Environmental → Water → Ocean 2 1
fd7ca8c4… EF 3.1 kg Environmental → Water → Surface water 2 1
80ef42d3… EF 3.1 kg Environmental → Water → Unknown 2 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0a10b734… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
31e2fa48… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
373dae4f… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
5a29ded5… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
6a3fc6a9… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
80ef42d3… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
aabc34e0… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
d8bb49f8… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
d9e9d3cb… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
e0be1e6d… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
ecdc9766… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
f006e0c8… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}
fd7ca8c4… cas_match_labels — {"2303-25-5":"exactMatch"} group_key=3-me-4'-no2-diphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}

Flow Object JSON

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    {
      "@value": "Benzene, 1-methyl-3-(4-nitrophenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-me-4'-no2-diphenyl Ether",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "altLabel"
      }
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H11NO3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      ],
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
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      ],
      "rdfs:label": "SMILES",
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3"
      ],
      "rdfs:label": "InChI",
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-methyl-3-(4-nitrophenoxy)benzene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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      }
    }
  },
  "references": [
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      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.388A",
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        "prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
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    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2303-25-5",
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        "prov:wasDerivedFrom": "cas_numbers"
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        "prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
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    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16816",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.by_cas[2303-25-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2270118",
      "provenance": {
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    {
      "@id": "https://www.wikidata.org/wiki/Q83047904",
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0a10b734-1282-4d88-9531-559d65a7b9f1",
    "seed_source": "EF 3.1"
  },
  "classifications": {
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      "@value": [
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      "rdfs:seeAlso": [
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      "skos:exactMatch": [
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        "prov:wasDerivedFrom": "cas_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null
}