Consensus flow list

Identity

Type
Neutral molecule
CAS
99-09-2
EC
202-729-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-nitroaniline

Alternative labels

27

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XJCVRTZCHMZPBD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
IUPAC name chemrof:IUPAC_name 3-nitroaniline
Molecular formula chemrof:molecular_formula C6H6N2O2
Molecular mass chemrof:molecular_mass 138.126
Monoisotopic mass chemrof:monoisotopic_mass 138.042927
SMILES string chemrof:smiles_string Nc1cccc([N+](=O)[O-])c1

Known URLs

14

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=99-09-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.481 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0307 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6025725 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9574 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14068 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CM50SM561T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245944 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.991H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7423 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=019457 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2668442 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Nitroaniline enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6c8c9c7c-f05f-40d4-86b0-186186a2190d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8db0779b-38d0-4259-b526-ebca597c3768 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f068c905-2d0a-466e-997d-820e5441017b Environmental → Air → Indoor EF 3.1 kg 2
2e2e70b7-9e67-4eda-abab-f0c3af8640c5 Environmental → Air → Long-term EF 3.1 kg 0
9a262e55-69e2-44be-8134-cd561430df9c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3c452d4a-f6d4-48a2-b5ca-c3d83498d293 Environmental → Air → Unknown EF 3.1 kg 2
3196b445-97c8-4d48-8757-87b7179143e8 Environmental → Ground → Agricultural EF 3.1 kg 2
105abebf-c908-4080-8c72-ace3509ab1ba Environmental → Ground → Non-agricultural EF 3.1 kg 2
6457dc28-23a4-44e5-8586-a9cc2380140f Environmental → Ground → Unknown EF 3.1 kg 2
668cee78-3813-46e1-8cf3-8de985bbf818 Environmental → Water → Long-term EF 3.1 kg 0
b78952fe-6cf8-4855-8349-8e4b444bc985 Environmental → Water → Ocean EF 3.1 kg 2
1771e231-871f-45b1-89a7-53f5ac1536fc Environmental → Water → Surface water EF 3.1 kg 2
cad26a42-0c19-4847-8aed-d6f41983f5fa Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ac3c7386aeb13fe0",
  "prefLabel": [
    {
      "@value": "3-nitroaniline",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-3-nitrobenzene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Aminonitrobenzene",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Nitrobenzenamine",
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      }
    },
    {
      "@value": "3-Nitrophenylamine",
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      "@value": "Amarthol Fast Orange R Base",
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      }
    },
    {
      "@value": "Aniline, m-nitro-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 3-nitro-",
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    {
      "@value": "C.I. Azoic Diazo Component 7",
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    },
    {
      "@value": "Daito Orange Base R",
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    },
    {
      "@value": "Devol Orange R",
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    },
    {
      "@value": "Diazo Fast Orange R",
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    },
    {
      "@value": "Fast Orange Base R",
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    },
    {
      "@value": "Fast Orange MM Base",
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    {
      "@value": "Fast Orange R Base",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fast Orange R Salt",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hiltonil Fast Orange R Base",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "m-Aminonitrobenze",
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      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "m-Aminonitrobenzene",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Nitroaminobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=99-09-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Nitroaniline",
      "@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": "m-Nitrophenylamine",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=99-09-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "meta-Nitroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=99-09-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Naphtoelan Orange R Base",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitranilin",
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      "provenance": {
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      }
    },
    {
      "@value": "Orange Base Irga I",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C6H6N2O2"
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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