Consensus flow list

Identity

Type
Neutral molecule
CAS
100-01-6
EC
202-810-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-nitroaniline

Alternative labels

31

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string TYMLOMAKGOJONV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
IUPAC name chemrof:IUPAC_name 4-nitroaniline
Molecular formula chemrof:molecular_formula C6H6N2O2
Molecular mass chemrof:molecular_mass 138.126
Monoisotopic mass chemrof:monoisotopic_mass 138.042927, 138.04293
SMILES string chemrof:smiles_string Nc1ccc([N+](=O)[O-])cc1

Known URLs

25

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=100-01-6 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/BY6ACFC0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17064 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.555 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0308 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020961 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9797 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14282 enrich_references.pubchem_identifier_url
gmelin gmelin:27331 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1MRQ0QZG7G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246529 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.000B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02126 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02126 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50755 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=4-NITROANILINE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:NIT enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7475 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1661 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019458 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23090935 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24116023 enrich_references.chebi_xrefs
reaxys reaxys:508690 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q419842 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Nitroaniline enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
9ab2c7fd-931f-4b95-9c8a-a42da071754d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
301bf555-9dda-4d0d-ac25-bd9da4cad83a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
32dc010a-7d76-4349-850f-9384c0084212 Environmental → Air → Indoor EF 3.1 kg 2
8cee65eb-199d-441e-9851-9f0cd56cfdf9 Environmental → Air → Long-term EF 3.1 kg 0
fc8c0c11-00e7-43f4-addb-981a33aa630a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e52839f2-d923-41f7-bcd2-f663552e3917 Environmental → Air → Unknown EF 3.1 kg 2
6277985e-552c-4f9e-afc6-a2dbe96c2254 Environmental → Ground → Agricultural EF 3.1 kg 2
6f55f590-5c52-4c4d-ada1-a21dd4be9c80 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5b7f1039-c051-4613-bac1-6882e4182717 Environmental → Ground → Unknown EF 3.1 kg 2
7374c9a2-335b-4022-8730-ceadfa674fcc Environmental → Water → Long-term EF 3.1 kg 0
e24b81c0-249f-41f4-860f-781a641d7800 Environmental → Water → Ocean EF 3.1 kg 2
65c2b6bf-e1a9-4b0e-8bf9-7fe673e5cdde Environmental → Water → Surface water EF 3.1 kg 2
694cbe4a-1fdd-4d11-9d76-0e26e871429b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-afcb49fc8af9fe26",
  "prefLabel": [
    {
      "@value": "4-nitroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-amino-4-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Amino-1-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Aminonitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-nitraniline",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Nitro-1-aminobenzene",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitrobenzenamine",
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    },
    {
      "@value": "4-Nitrobenzeneamine",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "4-Nitrophenylamine",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, p-nitro-",
      "@language": "en",
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    {
      "@value": "Azoamine Red Zh",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4-nitro-",
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      "@value": "C.I. Azoic Diazo Component 37",
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    },
    {
      "@value": "C.I. Developer 17",
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      }
    },
    {
      "@value": "Developer P",
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    },
    {
      "@value": "Devol Red GG",
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    },
    {
      "@value": "Fast Red 2G Base",
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    },
    {
      "@value": "Fast Red Base 2J",
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      }
    },
    {
      "@value": "Fast Red Base GG",
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    },
    {
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    },
    {
      "@value": "Fast Red MP Base",
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    {
      "@value": "Fast Red P Base",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Naphtoelan Red GG Base",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitrazol CF extra",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Aminonitrobenze",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-aminonitrobenzene",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-nitraniline",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Nitroaminobenzene",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Nitroaniline",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-nitrophenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Red 2G Base",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Shinnippon Fast Red GG Base",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H6N2O2"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        {
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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      ],
      "provenance": [
        {
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2"
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