Consensus flow list

Identity

Type
NeutralMolecule
CAS
89-61-2
EC
201-923-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,4-dichloro-2-nitrobenzene

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RZKKOBGFCAHLCZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
IUPAC name chemrof:IUPAC_name 1,4-dichloro-2-nitrobenzene
Molecular formula chemrof:molecular_formula C6H3Cl2NO2
Molecular mass chemrof:molecular_mass 192.001
Monoisotopic mass chemrof:monoisotopic_mass 190.954084
SMILES string chemrof:smiles_string O=[N+]([O-])c1cc(Cl)ccc1Cl

Known URLs

13

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=89-61-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.749 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1618 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7052602 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406125 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6294 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL354761 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IY18G50FF4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245494 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.548C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6977 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q18818937 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,4-Dichloro-2-nitrobenzene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e2fb2be8-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9690-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b5809cec-3338-44f9-884a-b488ff972fef Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-968f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9691-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-968e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
e2fb2be6-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 2
e2fb2be9-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e2fb2beb-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 2
e2fb2bed-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
e2fb2bea-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 2
e2fb2be7-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 2
e2fb2bec-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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