Consensus flow list

Identity

Type
Neutral molecule
CAS
106-48-9
EC
203-402-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-chlorophenol

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WXNZTHHGJRFXKQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
IUPAC name chemrof:IUPAC_name 4-chlorophenol
Molecular formula chemrof:molecular_formula C6H5ClO
Molecular mass chemrof:molecular_mass 128.558
Monoisotopic mass chemrof:monoisotopic_mass 128.00289, 128.002892
SMILES string chemrof:smiles_string Oc1ccc(Cl)cc1

Known URLs

39

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=106-48-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28078 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.094 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0850 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021871 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13154 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2877 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757263 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL57053 enrich_references.pubchem_identifier_url
gmelin gmelin:2902 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3DLC36A01X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246398 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.611K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02124 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00149 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02124 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00149 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-2913 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51580 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-10870 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C87268 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:4CH enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL57053 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4684 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2020 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017748 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10848923 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24279624 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24390833 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24473310 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24583212 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24725749 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24762698 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24794625 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24926596 enrich_references.chebi_xrefs
reaxys reaxys:507004 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0295 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2179668 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Chlorophenol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f21438ee-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-a016-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c7bd60bd-1e06-479a-98ca-76ffb07d57ae Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-a015-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a017-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-a014-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-a012-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9805-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-a013-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9803-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9806-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-a018-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
4d9a8790-3ddd-11dd-9804-0050c2490048 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
{
  "flow_object_id": "fo-b066dddb583c152a",
  "prefLabel": [
    {
      "@value": "4-chlorophenol",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "4-CP",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "4-Hydroxychlorobenzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "p-Chlorophenic acid",
      "@language": "en",
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    },
    {
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      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Parachlorophenol",
      "@language": "en",
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    },
    {
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      }
    },
    {
      "@value": "Phenol, p-chloro-",
      "@language": "en",
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