Consensus flow list

Identity

Type
Neutral molecule
CAS
96-96-8
EC
202-547-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-methoxy-2-nitroaniline

Alternative labels

75

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QFMJFXFXQAFGBO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
IUPAC name chemrof:IUPAC_name 4-methoxy-2-nitroaniline
Molecular formula chemrof:molecular_formula C7H8N2O3
Molecular mass chemrof:molecular_mass 168.152
Monoisotopic mass chemrof:monoisotopic_mass 168.05349, 168.053492
SMILES string chemrof:smiles_string COc1ccc(N)c([N+](=O)[O-])c1

Known URLs

18

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=96-96-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48973 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.317 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3044750 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5509 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184419 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1UYX3YYQ1G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.208B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57145 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66793 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166540 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16639589 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22725680 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25367778 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7553614 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9545601 enrich_references.chebi_xrefs
reaxys reaxys:880318 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27121415 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
93d21e23-d567-4831-bd63-1a00ba5b609a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e72fa3f1-b4e3-47ec-9c05-5668bed3ea6b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
850cff6f-1efd-414b-8d75-e0d5e2fbd735 Environmental → Air → Indoor EF 3.1 kg 2
cba04e12-ee38-4a20-af59-4148fddda63f Environmental → Air → Long-term EF 3.1 kg 0
d04a0304-bf89-47a7-a307-4d0288a9e78a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2b51601d-2298-4d2e-b78c-d505be65939e Environmental → Air → Unknown EF 3.1 kg 2
872be19b-26a2-40a4-a562-b23c6e40700d Environmental → Ground → Agricultural EF 3.1 kg 2
52035fad-0066-43fb-9839-1e76d15acbd4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c23d5608-ac30-4b4f-841f-402e82edb7b1 Environmental → Ground → Unknown EF 3.1 kg 2
e71fe363-0bb0-4fb6-be07-a3041ef5a1c9 Environmental → Water → Long-term EF 3.1 kg 0
7f7f42ef-bd7a-4302-9840-ee56bb39f547 Environmental → Water → Ocean EF 3.1 kg 2
0451857a-d8d7-4af5-97b8-bbd5e35aa649 Environmental → Water → Surface water EF 3.1 kg 2
14831efe-14b5-462b-a2de-1bb70ef832bf 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-66bcef3dab7425a3",
  "prefLabel": [
    {
      "@value": "4-methoxy-2-nitroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-2-nitro-4-methoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=96-96-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Nitro-4-methoxyaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=96-96-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Nitro-4-methoxybenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Nitro-p-anisidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_48973"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Nitro-4-aminoanisole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-1-methoxy-3-nitrobenzene",
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    },
    {
      "@value": "4-Amino-3-nitroanisole",
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      }
    },
    {
      "@value": "4-Methoxy-2-nitrobenzenamine",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "4-Methoxy-2-nitrophenylamine",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methoxy-o-nitroaniline",
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      }
    },
    {
      "@value": "Acco Fast Bordeaux GP salt",
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    },
    {
      "@value": "Amarthol Fast Bordeaux GP Base",
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    {
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    {
      "@value": "Atul Fast Bordeaux GP Base",
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    },
    {
      "@value": "Azobase NAS",
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      }
    },
    {
      "@value": "Azoene Fast Bordeaux GP Base",
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      }
    },
    {
      "@value": "Azoene Fast Bordeaux GP Salt",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Azofix Bordeaux GP",
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      }
    },
    {
      "@value": "Azogene Fast Bordeaux G",
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    },
    {
      "@value": "Benzenamine, 4-methoxy-2-nitro-",
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    },
    {
      "@value": "Bordeaux Base Ciba IV",
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      }
    },
    {
      "@value": "Bordeaux Base Irga IV",
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    },
    {
      "@value": "Bordeaux Base NGP",
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    },
    {
      "@value": "Bordeaux GP Base",
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      }
    },
    {
      "@value": "Bordeaux GP Salt",
      "@language": "en",
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    },
    {
      "@value": "Bordeaux GPS Salt",
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    },
    {
      "@value": "Bordeaux Salt Ciba IV",
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    },
    {
      "@value": "Bordeaux Salt NGP",
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    {
      "@value": "Brentamine Fast Bordeaux GP Base",
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    },
    {
      "@value": "Daito Bordeaux Base GP",
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    },
    {
      "@value": "Daito Bordeaux Salt GP",
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      }
    },
    {
      "@value": "Devol Bordeaux B",
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    },
    {
      "@value": "Devol Bordeaux GP Salt",
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      }
    },
    {
      "@value": "Diabase Bordeaux GP",
      "@language": "en",
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      }
    },
    {
      "@value": "Diasalt Bordeaux GP",
      "@language": "en",
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      }
    },
    {
      "@value": "Durgasol Bordeaux GP Salt",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Fast Bordeaux 3NA Base",
      "@language": "en",
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      "provenance": {
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