Consensus flow list

Identity

Type
NeutralMolecule
CAS
634-90-2
EC
211-217-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,2,3,5-tetrachlorobenzene

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QZYNWJQFTJXIRN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
IUPAC name chemrof:IUPAC_name 1,2,3,5-tetrachlorobenzene
Molecular formula chemrof:molecular_formula C6H2Cl4
Molecular mass chemrof:molecular_mass 215.894
Monoisotopic mass chemrof:monoisotopic_mass 213.89106, 213.891061
SMILES string chemrof:smiles_string Clc1cc(Cl)c(Cl)c(Cl)c1

Known URLs

14

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=634-90-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36696 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.198 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1026089 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=78934 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL44011 enrich_references.pubchem_identifier_url
gmelin gmelin:2380319 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I27N186CIN enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244132 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J532K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12468 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22845344 enrich_references.chebi_xrefs
reaxys reaxys:1618864 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27116931 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
172a8bc3-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9b56-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7d548dcb-4d77-4b27-bb8b-3376e7ce8000 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9b55-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9b57-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9b54-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9b52-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-950c-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9b53-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9b59-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-950d-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9b58-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-ae51-0050c2490048 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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        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_36696"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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