Consensus flow list

Identity

Type
Neutral molecule
CAS
62924-70-3
EC
613-108-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Flumetralin

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PWNAWOCHVWERAR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3
IUPAC name chemrof:IUPAC_name 2-Chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluorobenzenemethanamine
Molecular formula chemrof:molecular_formula C16H12ClF4N3O4
Molecular mass chemrof:molecular_mass 421.734
Monoisotopic mass chemrof:monoisotopic_mass 421.045246, 421.04525
SMILES string chemrof:smiles_string CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

Known URLs

13

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=62924-70-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82008 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.402 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7032553 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1863540 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FF3TSN8UV2 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0252338 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.597E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18849 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18849 enrich_references.pubchem_identifier_url
ppdb ppdb:1197 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62210 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22807596 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4d779c-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-a0c1-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
425acf02-88ca-49ab-8454-265db080d6ac Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-a0c0-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a0c2-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-a0bf-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-a0bd-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-a0c6-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-a0be-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-a0c4-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a0c7-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-a0c3-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-a0c5-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-99c6ac9b74b18863",
  "prefLabel": [
    {
      "@value": "Flumetralin",
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      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "2-Chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluorobenzenemethanamine",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-",
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    },
    {
      "@value": "Fujiean",
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        ],
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      "reason": "",
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      ],
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    }
  },
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      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=62924-70-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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      ],
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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