Fluorodifen
fo-d86b075b43cebde2
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
Alternative labels
12- 2,4′-Dinitro-4-(trifluoromethyl) diphenyl ether
- 2-Nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
- 3-Nitro-4-(p-nitrophenoxy)-α,α,α-trifluorotoluene
- 4-Nitrophenyl 4-(trifluoromethyl)-2-nitrophenyl ether
- 4′-Trifluoromethyl-2′,4-dinitrodiphenyl ether
- Benzene, 2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)-
- Ether, p-nitrophenyl α,α,α-trifluoro-2-nitro-p-tolyl
- Fluorodiphen
- p-Nitrophenyl 2-nitro-4-(trifluoromethyl)phenyl ether
- p-Nitrophenyl α,α,α-trifluoro-2-nitro-p-tolyl ether
- p-Nitrophenyl α,α,α-trifluoro-o-nitro-p-tolyl ether
- Preforan
Properties
| Property | Value |
|---|---|
| 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
14Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works