Consensus flow list

Identity

Type
NeutralMolecule
CAS
1836-75-5
EC
217-406-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Nitrofen

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XITQUSLLOSKDTB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
IUPAC name chemrof:IUPAC_name 2,4-Dichloro-1-(4-nitrophenoxy)benzene
Molecular formula chemrof:molecular_formula C12H7Cl2NO3
Molecular mass chemrof:molecular_mass 284.098
Monoisotopic mass chemrof:monoisotopic_mass 282.980298, 282.9803
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1

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=1836-75-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7590 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.824 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0929 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7020970 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL561004 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N71UYG034A enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041951 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.991K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11065 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11065 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49656 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44411 enrich_references.pubchem_identifier_url
ppdb ppdb:1422 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15787 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q414023 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Nitrofen enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
1f30d65e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9cd1-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
dba99526-37d3-4b90-b504-140c2e5cc0f9 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9cd0-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9cd2-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9ccf-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b048-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9cd6-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6c7a6bb93424aa2fee49e674d3b80ef7b2615b60 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-b049-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9cd4-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9cd7-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9cd3-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9cd5-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6addcdb9adea5e58",
  "prefLabel": [
    {
      "@value": "Nitrofen",
      "@language": "en",
      "@lang": "en",
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  "altLabel": [
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      }
    },
    {
      "@value": "2,4-Dichloro-4′-nitrodiphenyl ether",
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      }
    },
    {
      "@value": "2,4-Dichlorophenyl 4-nitrophenyl ether",
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      }
    },
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      "@value": "2,4-Dichlorophenyl p-nitrophenyl ether",
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    {
      "@value": "2′,4′-Dichloro-4-nitrodiphenyl ether",
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    },
    {
      "@value": "4-(2,4-Dichlorophenoxy)nitrobenzene",
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    },
    {
      "@value": "4-Nitro-2′,4′-dichlorophenyl ether",
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    },
    {
      "@value": "4′-Nitro-2,4-dichlorodiphenyl ether",
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    },
    {
      "@value": "Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-",
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    },
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      "@value": "Ether, 2,4-dichlorophenyl p-nitrophenyl",
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    },
    {
      "@value": "Mezotox",
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    },
    {
      "@value": "Niclofen",
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    },
    {
      "@value": "NIP",
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      }
    },
    {
      "@value": "Nitrochlor",
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      }
    },
    {
      "@value": "Nitrofen (pesticide)",
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      }
    },
    {
      "@value": "TOK",
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        ],
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      }
    },
    {
      "@value": "TOK (ether)",
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      }
    },
    {
      "@value": "TOK E",
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    },
    {
      "@value": "TOK E 25",
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      "@value": "TOK E 40",
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      "@value": "Trizilin",
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      "@value": "Trizilin 25",
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  "properties": {
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