Consensus flow list

Identity

Type
NeutralMolecule
CAS
106-46-7
EC
203-400-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 1,4-dichlorobenzene

What it is used for

2

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
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OCJBOOLMMGQPQU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
IUPAC name chemrof:IUPAC_name 1,4-dichlorobenzene
Molecular formula chemrof:molecular_formula C6H4Cl2
Molecular mass chemrof:molecular_mass 147.004
Monoisotopic mass chemrof:monoisotopic_mass 145.969005, 145.96901
SMILES string chemrof:smiles_string Clc1ccc(Cl)cc1

Known URLs

27

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=106-46-7 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/CZ456D70.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28618 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.092 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0037 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020431 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=36935 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL190982 enrich_references.pubchem_identifier_url
gmelin gmelin:49722 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D149TYB5MK enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041971 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2903.91.30.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.033I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07092 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07092 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49669 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44297 enrich_references.pubchem_identifier_url
patent patent:WO2010122925 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4685 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10817668 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17750169 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23899931 enrich_references.chebi_xrefs
reaxys reaxys:1680023 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0593 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q161529 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,4-Dichlorobenzene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f21438ec-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2c8-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
1c990458-1705-4926-9816-4b5edc2d97b6 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2c7-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a2c9-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2c6-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2c4-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2cd-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2c5-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2cb-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a2ce-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2ca-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2cc-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-17f4b4f6aa2a8245",
  "prefLabel": [
    {
      "@value": "1,4-dichlorobenzene",
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        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "Benzene, 1,4-dichloro-",
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      }
    },
    {
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      }
    },
    {
      "@value": "Di-chloricide",
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    {
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    {
      "@value": "p-Dichlorobenzene",
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    {
      "@value": "para-Dichlorobenzene",
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    {
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    },
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    },
    {
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  "properties": {
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