Consensus flow list

Identity

Type
NeutralMolecule
CAS
86-57-7
EC
201-684-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 1-nitronaphthalene

What it is used for

1

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RJKGJBPXVHTNJL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
IUPAC name chemrof:IUPAC_name 1-nitronaphthalene
Molecular formula chemrof:molecular_formula C10H7NO2
Molecular mass chemrof:molecular_mass 173.171
Monoisotopic mass chemrof:monoisotopic_mass 173.047678, 173.04768
SMILES string chemrof:smiles_string O=[N+]([O-])c1cccc2ccccc12

Known URLs

23

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=86-57-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34104 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.531 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7020978 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9584 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL165373 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A51NP1DL2T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062188 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.536J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14040 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14040 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54920 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6849 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2538 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21264431 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21420130 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21922113 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22894348 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23013142 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9020398 enrich_references.chebi_xrefs
reaxys reaxys:1867714 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q14848739 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Nitronaphthalene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fd5ad1c4-c02d-4c07-b409-4a0efbc52a52 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5c4677e1-60d7-4568-9017-42ca40a18cf8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
467c72d0-cce6-4f9a-9f2c-927fbce43ac2 Environmental → Air → Indoor EF 3.1 kg 2
8ad59d0e-2bfb-448b-9d59-7281c43fae00 Environmental → Air → Long-term EF 3.1 kg 0
77d9b224-45ff-4927-9a84-b7bc422edf31 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3cd02da2-87f0-4f8e-a2e3-820c403631fc Environmental → Air → Unknown EF 3.1 kg 2
f9627770-53df-4f12-8185-646002eab50a Environmental → Ground → Agricultural EF 3.1 kg 2
e31c475e-2a5a-4b4f-8aa4-56ac6e0464ed Environmental → Ground → Non-agricultural EF 3.1 kg 2
945f425b-2e4d-46e5-be5b-d801217b9a3b Environmental → Ground → Unknown EF 3.1 kg 2
0f64b2fe-68af-4848-97e6-776b585f12a7 Environmental → Water → Long-term EF 3.1 kg 0
36513008-9b4c-4f77-90cc-d84d36de4cc6 Environmental → Water → Ocean EF 3.1 kg 2
44ed6a5a-a689-42f3-abb1-1d366c9d0ec3 Environmental → Water → Surface water EF 3.1 kg 2
5c6e1532-e3e5-4f6c-82d1-20a060ca5c64 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
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    {
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