Consensus flow list

Identity

Type
Neutral molecule
CAS
2138-22-9
EC
218-381-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-Chlorocatechol

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WWOBYPKUYODHDG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
IUPAC name chemrof:IUPAC_name 4-Chlorocatechol
Molecular formula chemrof:molecular_formula C6H5ClO2
Molecular mass chemrof:molecular_mass 144.557
Monoisotopic mass chemrof:monoisotopic_mass 143.997807, 143.99781
SMILES string chemrof:smiles_string Oc1ccc(Cl)cc1O

Known URLs

21

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=2138-22-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27772 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.711 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022176 enrich_references.pubchem_identifier_url
gmelin gmelin:602391 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I01EXU3P3J enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041810 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.798A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02375 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02375 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49553 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-9152 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:4CL enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16496 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017780 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23261399 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24057966 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24064298 enrich_references.chebi_xrefs
reaxys reaxys:1907691 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0296 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27103321 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6ed84e4f-4d5c-442c-8041-425505df7d7a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
52b92ff1-334c-4735-8296-837b557c38cb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6314a578-127e-4980-bcd0-a1a92022c8f4 Environmental → Air → Indoor EF 3.1 kg 2
7bed0eca-592f-4179-bb94-34b31c298b52 Environmental → Air → Long-term EF 3.1 kg 0
c2870201-b2b9-4cce-9745-10a08ed35bc9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4cf797cf-5c81-4aa5-95b0-f05d595d242e Environmental → Air → Unknown EF 3.1 kg 2
d2d8d39d-6d6d-44f5-81ea-835453e85aaa Environmental → Ground → Agricultural EF 3.1 kg 2
88a9a567-cd46-44d4-b68e-5ef4d88e4555 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fb6d390b-9609-480f-b25c-dee4e13758aa Environmental → Ground → Unknown EF 3.1 kg 2
063212e9-d373-401e-8a50-6506e470fb90 Environmental → Water → Long-term EF 3.1 kg 0
80d5c98d-419c-4062-ae48-26bb7a2869b7 Environmental → Water → Ocean EF 3.1 kg 2
07a58d86-a4af-4694-8d55-dc5a2fc54c64 Environmental → Water → Surface water EF 3.1 kg 2
35848794-fc45-43ff-8f1d-62706b63e2a8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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