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Chlornitrofen

fo-864ca0b56a92990c

Identity

Type
Neutral molecule
CAS
1836-77-7
EC
217-407-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Chlornitrofen

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

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XQNAUQUKWRBODG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H
IUPAC name chemrof:IUPAC_name 2,4,6-Trichlorophenyl 4-nitrophenyl ether
Molecular formula chemrof:molecular_formula C12H6Cl3NO3
Molecular mass chemrof:molecular_mass 318.543
Monoisotopic mass chemrof:monoisotopic_mass 316.941326, 316.94133
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)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=1836-77-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3620 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.825 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0041775 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4520017 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1NMN2MY1CW enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.132F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11063 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11063 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67648 enrich_references.pubchem_identifier_url
pesticides pesticides:chlornitrofen enrich_references.chebi_xrefs
ppdb ppdb:2564 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15788 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q11299853 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
668620c0-053c-4fea-9f0c-a3f801734c58 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c942f6b8-9bb0-4448-8849-c36dfcee7c14 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
28784505-6836-4874-8d34-117ed9e812ff Environmental → Air → Indoor EF 3.1 kg 2
02e4a25e-cc83-4b68-a87d-e9579737f1b7 Environmental → Air → Long-term EF 3.1 kg 0
ffb3b1de-e19a-460b-a354-01bcefd5eae8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
689a7708-246e-4aad-bc85-990bfdbd50fb Environmental → Air → Unknown EF 3.1 kg 2
a1f56166-34bb-4656-b971-01d67aa4d5cd Environmental → Ground → Agricultural EF 3.1 kg 2
3f59c7c6-c940-4510-b353-b36b29bbc8b0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
46cbeb4aefd660f0e68f1d5ca185110196516c8e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
92a99220-4f14-4dab-b97b-954ce81ec482 Environmental → Ground → Unknown EF 3.1 kg 2
532ff32b-95e1-4f5e-8779-582ceea610d1 Environmental → Water → Long-term EF 3.1 kg 0
d8905df9-0b19-4036-a1dc-c41d6e7e77ce Environmental → Water → Ocean EF 3.1 kg 2
2cf2f4c4-efaf-4eaf-8e69-172af7372ede Environmental → Water → Surface water EF 3.1 kg 2
cb128693-441a-494a-982f-fc4888c5b154 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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}

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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

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