Consensus flow list

Identity

Type
NeutralMolecule
CAS
99-54-7
EC
202-764-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

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

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NTBYINQTYWZXLH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
IUPAC name chemrof:IUPAC_name 1,2-dichloro-4-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-])c1ccc(Cl)c(Cl)c1

Known URLs

15

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=99-54-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.513 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0254 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024999 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6295 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=99806 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL167468 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IJT74JI7FS enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244066 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.584J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7443 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1578 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2469366 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2-Dichloro-4-nitrobenzene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
acd87058-544d-4509-93dc-fc6d0123b943 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d2f241a-320f-4b6c-bd7d-2eb4b092b2c8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e70496fd-a060-4b1a-bd50-961cf3a1a689 Environmental → Air → Indoor EF 3.1 kg 4
4562dc06-4542-4ca4-84ba-6243c99ae28e Environmental → Air → Long-term EF 3.1 kg 0
98a42e9d-54f6-4d47-9a9b-3658af68e893 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08cbf2ee-e5a3-4eba-8920-1d5360cb5867 Environmental → Air → Unknown EF 3.1 kg 4
c077eaeb-8ce1-453e-88d7-944a58fb3dbe Environmental → Ground → Agricultural EF 3.1 kg 4
f8ed9b41-9b76-4cc3-ae98-e70c93b5972c Environmental → Ground → Non-agricultural EF 3.1 kg 4
5f2cd4b1-8b9d-4697-b0a2-22c7ac57fad1 Environmental → Ground → Unknown EF 3.1 kg 4
8347724f-3c73-43a3-b7f2-53f2752a839e Environmental → Water → Long-term EF 3.1 kg 0
97385152-20af-4e56-8180-3997e7e7af99 Environmental → Water → Ocean EF 3.1 kg 4
1b892775-1a9c-4c13-a1d3-c803ffaa3eb3 Environmental → Water → Surface water EF 3.1 kg 4
df645260-de5a-464f-9a5c-6d88ea2da9e6 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6c21da75f54fbee7",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "1-Nitro-3,4-dichlorobenzene",
      "@language": "en",
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    {
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    },
    {
      "@value": "4-Nitro-1,2-dichlorobenzene",
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    },
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      "@value": "Benzene, 1,2-dichloro-4-nitro-",
      "@language": "en",
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