Consensus flow list

Identity

Type
Neutral molecule
CAS
15457-05-3
EC
239-474-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Fluorodifen

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HHMCAJWVGYGUEF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H
IUPAC name chemrof:IUPAC_name 2-Nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
Molecular formula chemrof:molecular_formula C13H7F3N2O5
Molecular mass chemrof:molecular_mass 328.202
Monoisotopic mass chemrof:monoisotopic_mass 328.030706, 328.03071
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

Known URLs

14

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=15457-05-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5116 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.870 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7037553 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=58415 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1892429 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H4154A0WOP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.132A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11064 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11064 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67701 enrich_references.pubchem_identifier_url
ppdb ppdb:1127 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/27295 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15809890 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
c603897f-c33a-4022-b51b-cd5b7cf27bf3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
667d2ea1-bef2-46eb-8a1c-536dc412a93d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a746c822-ffcf-48f8-82e5-dbfe7ba1bb08 Environmental → Air → Indoor EF 3.1 kg 2
96ec6878-f3b6-441b-99bd-06a26bc00c14 Environmental → Air → Long-term EF 3.1 kg 0
bfd1e246-5706-4a6f-9014-2dd2aa8a5231 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
06775c53-3266-4a39-ba02-536c4cf92598 Environmental → Air → Unknown EF 3.1 kg 2
e70332ae-3f7b-4012-8423-09149ff232e5 Environmental → Ground → Agricultural EF 3.1 kg 2
641d0dfb-79c7-426d-9709-905e704c720b Environmental → Ground → Non-agricultural EF 3.1 kg 2
8ce4563d65fd4c4f7d3be3ba170e13c07ac1f1dc Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
47d54f07-f696-492c-ab4e-91425df98982 Environmental → Ground → Unknown EF 3.1 kg 2
ffad2a1c-2fa8-40b3-8ea2-f761e93ba13d Environmental → Water → Long-term EF 3.1 kg 0
22f948df-b305-46b3-9471-7a861c961364 Environmental → Water → Ocean EF 3.1 kg 2
5dc2bef9-ec34-4198-b689-1546044f6290 Environmental → Water → Surface water EF 3.1 kg 2
0832fb73-1383-4541-87a6-b3b74fc54adc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d86b075b43cebde2",
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      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "2,4′-Dinitro-4-(trifluoromethyl) diphenyl ether",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
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    },
    {
      "@value": "4-Nitrophenyl 4-(trifluoromethyl)-2-nitrophenyl ether",
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    {
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      "@value": "Ether, p-nitrophenyl α,α,α-trifluoro-2-nitro-p-tolyl",
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    },
    {
      "@value": "Fluorodiphen",
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