Nitrofen
fo-6addcdb9adea5e58
Identity
- Type
- Neutral molecule
- CAS
- 1836-75-5
- EC
- 217-406-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
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- 2,4-Dichloro-1-(4-nitrophenoxy)benzene
- 2,4-Dichloro-4′-nitrodiphenyl ether
- 2,4-Dichlorophenyl 4-nitrophenyl ether
- 2,4-Dichlorophenyl p-nitrophenyl ether
- 2′,4′-Dichloro-4-nitrodiphenyl ether
- 4-(2,4-Dichlorophenoxy)nitrobenzene
- 4-Nitro-2′,4′-dichlorophenyl ether
- 4′-Nitro-2,4-dichlorodiphenyl ether
- Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-
- Ether, 2,4-dichlorophenyl p-nitrophenyl
- Mezotox
- Niclofen
- NIP
- Nitrochlor
- Nitrofen (pesticide)
- TOK
- TOK (ether)
- TOK E
- TOK E 25
- TOK E 40
- Trizilin
- Trizilin 25
Properties
| Property | Value |
|---|---|
| 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
18Where 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 | 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
15| 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 |
| ceeaa792672024c8e55ca6ff200862bc87e81038 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9cd5-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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