Consensus flow list

Identity

Type
NeutralMolecule
CAS
350-46-9
EC
206-502-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-fluoro-4-nitrobenzene

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WFQDTOYDVUWQMS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
IUPAC name chemrof:IUPAC_name 1-fluoro-4-nitrobenzene
Molecular formula chemrof:molecular_formula C6H4FNO2
Molecular mass chemrof:molecular_mass 141.101
Monoisotopic mass chemrof:monoisotopic_mass 141.022607
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc(F)cc1

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=350-46-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.912 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9022025 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10281 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL163729 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A2M2FH7XHH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.809A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9590 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27273534 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72475201 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Fluoronitrobenzene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
14ff749e-fcbc-4944-91dd-a25550524a98 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fb4141c8-b494-426e-8654-e51d93ed1c2a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3dd87e5d-289a-40b6-8317-d6bd6fd2968c Environmental → Air → Indoor EF 3.1 kg 2
cf7f2ec4-3c76-47bf-954d-7be8098ee80e Environmental → Air → Long-term EF 3.1 kg 0
265e0c24-74eb-4f3a-abc5-8222bbec74b3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08c7003a-5287-4435-8c88-9d0efbfe36e9 Environmental → Air → Unknown EF 3.1 kg 2
3152e80a-7c34-4d8d-8160-9c99a4fee911 Environmental → Ground → Agricultural EF 3.1 kg 2
0dc84aa7-63fd-4cfa-8cc6-920fd283fb2b Environmental → Ground → Non-agricultural EF 3.1 kg 2
4c836989-6770-41a1-be8f-46c406226098 Environmental → Ground → Unknown EF 3.1 kg 2
ccca8ce7-cac8-4705-b7a4-b2c936ee7a26 Environmental → Water → Long-term EF 3.1 kg 0
73457a57-eea5-4031-a9cc-1f9ccbf0572e Environmental → Water → Ocean EF 3.1 kg 2
1055443a-05aa-40fa-96a2-64db9c6efd5b Environmental → Water → Surface water EF 3.1 kg 2
30a11174-3ed5-44b2-946b-0e4eda82dbca 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-59f7f380cdcafd3a",
  "prefLabel": [
    {
      "@value": "1-fluoro-4-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Nitro-4-fluorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Fluoro-1-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitro-1-fluorobenzene",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitrofluorobenzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitrophenyl fluoride",
      "@language": "en",
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    },
    {
      "@value": "Benzene, 1-fluoro-4-nitro-",
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    },
    {
      "@value": "p-Fluoronitrobenzene",
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    },
    {
      "@value": "p-Nitrofluorobenzene",
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    },
    {
      "@value": "Para-fluoronitrobenzene",
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}

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