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2-Nitrobenzoic Acid

Flow Object IDfo-6ba2c9c4db685643
TypeConsensus
prefLabel
Label Language
2-Nitrobenzoic Acid en
Alt Labels
Label Language Provenance
<em>o</em>-Carboxynitrobenzene en —
<em>o</em>-Nitrobenzoic acid en —
Benzoic acid, 2-nitro- en —
Benzoic acid, <em>o</em>-nitro- en —
NSC 9576 en —
o-Carboxynitrobenzene en —
o-Nitrobenzoic acid en —
Definitions
Language Value Provenance
en A nitrobenzoic acid carrying the nitro substituent at position 2.
CAS Numbers552-16-9
EC Numbers209-004-9
Changes Applied8

Properties

Predicate Value
Formal charge 0
InChIKey SLAMLWHELXOEJZ-UHFFFAOYSA-N
InChI InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
IUPAC name 2-nitrobenzoic acid
Molecular formula C7H5NO4
Molecular mass 167.12
Monoisotopic mass 167.02186
SMILES C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-], O=C(O)c1ccccc1[N+](=O)[O-]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
15ddc39b… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 2
c7f2d29a… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
d625cae4… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 2
f519c46c… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
15ddc39b… altLabel [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Carboxynitrobenzene","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"o-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Nitrobenzoic acid","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Carboxynitrobenzene","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"o-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Nitrobenzoic acid","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"<em>o</em>-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"<em>o</em>-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, <em>o</em>-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 9576","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=552-16-9; added Common Chemistry CAS names as altLabel: <em>o</em>-Carboxynitrobenzene, <em>o</em>-Nitrobenzoic acid, Benzoic acid, 2-nitro-, Benzoic acid, <em>o</em>-nitro-, NSC 9576; object_uuid=fo-6ba2c9c4db685643
15ddc39b… cas_match_labels — {"552-16-9":"exactMatch"} group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'552-16-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ba2c9c4db685643: {'552-16-9': 'exactMatch'}
c7f2d29a… altLabel [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Carboxynitrobenzene","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"o-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Nitrobenzoic acid","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Carboxynitrobenzene","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"o-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Nitrobenzoic acid","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"<em>o</em>-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"<em>o</em>-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, <em>o</em>-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 9576","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=552-16-9; added Common Chemistry CAS names as altLabel: <em>o</em>-Carboxynitrobenzene, <em>o</em>-Nitrobenzoic acid, Benzoic acid, 2-nitro-, Benzoic acid, <em>o</em>-nitro-, NSC 9576; object_uuid=fo-6ba2c9c4db685643
c7f2d29a… cas_match_labels — {"552-16-9":"exactMatch"} group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'552-16-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ba2c9c4db685643: {'552-16-9': 'exactMatch'}
d625cae4… altLabel [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Carboxynitrobenzene","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"o-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Nitrobenzoic acid","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Carboxynitrobenzene","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"o-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Nitrobenzoic acid","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"<em>o</em>-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"<em>o</em>-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, <em>o</em>-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 9576","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=552-16-9; added Common Chemistry CAS names as altLabel: <em>o</em>-Carboxynitrobenzene, <em>o</em>-Nitrobenzoic acid, Benzoic acid, 2-nitro-, Benzoic acid, <em>o</em>-nitro-, NSC 9576; object_uuid=fo-6ba2c9c4db685643
d625cae4… cas_match_labels — {"552-16-9":"exactMatch"} group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'552-16-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ba2c9c4db685643: {'552-16-9': 'exactMatch'}
f519c46c… altLabel [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Carboxynitrobenzene","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"o-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Nitrobenzoic acid","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"o-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Carboxynitrobenzene","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"o-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:o-Nitrobenzoic acid","http://purl.obolibrary.org/obo/CHEBI_25620","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"<em>o</em>-Carboxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"<em>o</em>-Nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, <em>o</em>-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 9576","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:552-16-9","https://commonchemistry.cas.org/detail?cas_rn=552-16-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=552-16-9; added Common Chemistry CAS names as altLabel: <em>o</em>-Carboxynitrobenzene, <em>o</em>-Nitrobenzoic acid, Benzoic acid, 2-nitro-, Benzoic acid, <em>o</em>-nitro-, NSC 9576; object_uuid=fo-6ba2c9c4db685643
f519c46c… cas_match_labels — {"552-16-9":"exactMatch"} group_key=2-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'552-16-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6ba2c9c4db685643: {'552-16-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-6ba2c9c4db685643",
  "prefLabel": [
    {
      "@value": "2-Nitrobenzoic Acid",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>o</em>-Carboxynitrobenzene",
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      }
    },
    {
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        "prov:wasDerivedFrom": "altLabel"
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    },
    {
      "@value": "Benzoic acid, 2-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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    },
    {
      "@value": "Benzoic acid, <em>o</em>-nitro-",
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      "@lang": "en",
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    },
    {
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    },
    {
      "@value": "o-Carboxynitrobenzene",
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      "provenance": {
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    {
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H5NO4"
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      "rdfs:label": "Molecular formula",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
        "C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]",
        "O=C(O)c1ccccc1[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)"
      ],
      "rdfs:label": "InChI",
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SLAMLWHELXOEJZ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "167.12"
      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "167.02186"
      ],
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
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