Consensus flow list

Identity

Type
Neutral molecule
CAS
97-52-9
EC
202-588-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-methoxy-4-nitroaniline

Alternative labels

41

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GVBHRNIWBGTNQA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
IUPAC name chemrof:IUPAC_name 2-methoxy-4-nitroaniline
Molecular formula chemrof:molecular_formula C7H8N2O3
Molecular mass chemrof:molecular_mass 168.152
Monoisotopic mass chemrof:monoisotopic_mass 168.053492
SMILES string chemrof:smiles_string COc1cc([N+](=O)[O-])ccc1N

Known URLs

11

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=97-52-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.354 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0038700 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4130 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1518220 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DPU26P1846 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2922.29.81.10 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.207D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7337 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27276523 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Methoxy-4-nitroaniline enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
55f14f0e-69a8-43c7-b477-a203cbdd1e86 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f83c2b68-3894-4c33-bc75-9ff6225f472d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f009d330-f4b9-4421-9583-8a2fc9cd6a76 Environmental → Air → Indoor EF 3.1 kg 2
e6ad5e1a-e3d8-4d3a-87f6-dd06d5ff14d7 Environmental → Air → Long-term EF 3.1 kg 0
adbfefdd-9346-4134-bb58-339329b293c8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6c9dd670-c936-44cb-b6eb-fa734d3bede9 Environmental → Air → Unknown EF 3.1 kg 2
56482c87-35c4-4d68-a329-028b19cf193b Environmental → Ground → Agricultural EF 3.1 kg 2
8e29c732-793a-4279-9388-9ec96368d29f Environmental → Ground → Non-agricultural EF 3.1 kg 2
f3e7161d-982f-43ee-9ad8-0c148cb4f866 Environmental → Ground → Unknown EF 3.1 kg 2
7ff971bb-d81e-40a2-83e3-91d731b22923 Environmental → Water → Long-term EF 3.1 kg 0
aa5e0d91-4c41-4952-bc27-22d89a84d148 Environmental → Water → Ocean EF 3.1 kg 2
1798776e-55dc-4fe8-ba7b-d98cb41c76ac Environmental → Water → Surface water EF 3.1 kg 2
dbc6e53b-9455-47bf-b327-18345fb910c5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ce702d0f992b34f6",
  "prefLabel": [
    {
      "@value": "2-methoxy-4-nitroaniline",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-2-methoxy-4-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2-Amino-1-methoxy-5-nitrobenzene",
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      }
    },
    {
      "@value": "2-Amino-5-nitroanisole",
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    },
    {
      "@value": "2-Methoxy-4-nitrobenzenamine",
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    },
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      "@value": "3-Methoxy-4-aminonitrobenzene",
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