Consensus flow list

Identity

Type
Neutral molecule
CAS
51-28-5
EC
200-087-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,4-dinitrophenol

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UFBJCMHMOXMLKC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
IUPAC name chemrof:IUPAC_name 2,4-dinitrophenol
Molecular formula chemrof:molecular_formula C6H4N2O5
Molecular mass chemrof:molecular_mass 184.107
Monoisotopic mass chemrof:monoisotopic_mass 184.01202, 184.012021
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1

Known URLs

38

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
beilstein beilstein:1246142 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=51-28-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42017 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.080 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0464 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020523 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04528 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB04528 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1532 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=791780 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL273386 enrich_references.pubchem_identifier_url
gmelin gmelin:103005 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q13SKS21MN enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245462 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.909G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02496 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02496 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-20951 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52301 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-8179 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:DNF enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL273386 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1493 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1320 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1599 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019513 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10509480 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10888472 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13532746 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15307184 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16661637 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18505478 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25281383 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5959282 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9129253 enrich_references.chebi_xrefs
reaxys reaxys:1246142 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q209226 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4-Dinitrophenol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d86c61cc-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f98-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d8ab8e15-12b2-448e-880a-1d81ce3772bd Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f97-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9f99-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f96-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f94-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9683-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f95-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f9b-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9684-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f9a-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9682-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6a2549ede88157ab",
  "prefLabel": [
    {
      "@value": "2,4-dinitrophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dinitro-4-hydroxybenzene",
      "@language": "en",
      "@lang": "en",
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        ],
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    },
    {
      "@value": "1-hydroxy-2,4-dinitrobenzene",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-DNP",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "2-Nitro-4-nitrophenol",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Aldifen",
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    {
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    },
    {
      "@value": "Dinofan",
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    },
    {
      "@value": "Fenoxyl Carbon N",
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    },
    {
      "@value": "Phenol, 2,4-dinitro-",
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    },
    {
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    },
    {
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