Consensus flow list

Identity

Type
NeutralMolecule
CAS
528-29-0
EC
208-431-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,2-dinitrobenzene

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IZUKQUVSCNEFMJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
IUPAC name chemrof:IUPAC_name 1,2-dinitrobenzene
Molecular formula chemrof:molecular_formula C6H4N2O4
Molecular mass chemrof:molecular_mass 168.108
Monoisotopic mass chemrof:monoisotopic_mass 168.017107, 168.01711
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccccc1[N+](=O)[O-]

Known URLs

19

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:642224 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=528-29-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34053 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.666 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0460 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0725 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4024066 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60682 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL168075 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/35XUO924Y0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244084 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.209B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14702 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14702 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10707 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1597 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3443 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2238767 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2-Dinitrobenzene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c646d25b-8a1f-47c2-b5b0-aef47ad98e61 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ec6fe7ff-6abb-4490-a42b-a5e4922292d9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
77e57088-b4fb-4c6c-bf34-5c7d6b9717bc Environmental → Air → Indoor EF 3.1 kg 2
3702bd9f-c39f-4b14-9498-96539265fd7c Environmental → Air → Long-term EF 3.1 kg 0
733494c2-a5aa-4885-8b8d-54422b432b5a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dc8b6f33-3867-4086-bba0-d65fdc732274 Environmental → Air → Unknown EF 3.1 kg 2
9ea01a63-81a5-498a-b02c-f95f9533ff48 Environmental → Ground → Agricultural EF 3.1 kg 2
bba14a7c-301b-4862-9019-d66cb3d21fdc Environmental → Ground → Non-agricultural EF 3.1 kg 2
175ea91d-200d-4056-8a13-964b0423e06e Environmental → Ground → Unknown EF 3.1 kg 2
76ddc655-58c1-48a6-9346-0ac3af3b5c2a Environmental → Water → Long-term EF 3.1 kg 0
7e265739-8ec6-4a66-a9e7-e1a5d92606de Environmental → Water → Ocean EF 3.1 kg 2
8d0e0e2e-facb-4b0f-b480-f25012c8da55 Environmental → Water → Surface water EF 3.1 kg 2
17259af9-f043-4cb5-80d9-1268be5c205b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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